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Also known as: 61086-12-2, 1-benzyl-4-[n-(1-propanoyl)-n-phenylamino]-4-methoxymethylpiperidine, N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-n-phenylpropanamide, N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-n-phenylpropionamide, Einecs 262-596-0, Schembl3162283

Molecular Formula

C₂₃H₃₀N₂O₂

Molecular Weight

366.5 g/mol

InChI Key

RIGNIZMZYKGGHY-UHFFFAOYSA-N

1 2D Structure

CAS 61086-12-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

2.1.2 InChI

InChI=1S/C23H30N2O2/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3

2.1.3 InChI Key

RIGNIZMZYKGGHY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)COC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 61086-12-2

2. 1-benzyl-4-[n-(1-propanoyl)-n-phenylamino]-4-methoxymethylpiperidine

3. N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-n-phenylpropanamide

4. N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-n-phenylpropionamide

5. Einecs 262-596-0

6. Schembl3162283

7. Dtxsid70209962

8. Zinc33605090

9. Akos025149610

10. Propanamide,n-[4-(methoxymethyl)-1-(phenylmethyl)-4-piperidinyl]-n-phenyl-

11. Ft-0662853

12. N-[1-benzyl-4-(methoxymethyl)piperidine-4-yl]-n-phenylpropanamide

13. N-[4-(methoxymethyl)-1-(phenylmethyl)-4-piperidinyl]-n-phenylpropanamide

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₀N₂O₂
Molecular Weight	366.5 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	366.230728204 g/mol
Monoisotopic Mass	366.230728204 g/mol
Topological Polar Surface Area	32.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	447
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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