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Chemistry

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Also known as: At-004, Chembl4435280, 2099680-36-9, Orb2565655, Schembl18920957, Schembl18920958

Molecular Formula

C₂₂H₃₂N₂

Molecular Weight

324.5 g/mol

InChI Key

RUVSOGDMGUPNJT-UHFFFAOYSA-N

1 2D Structure

NOP agonist-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole

2.1.2 InChI

InChI=1S/C22H32N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,11,16-18,20-21H,7-10,12-15H2,1-2H3

2.1.3 InChI Key

RUVSOGDMGUPNJT-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. At-004

2. Chembl4435280

3. 2099680-36-9

4. Orb2565655

5. Schembl18920957

6. Schembl18920958

7. Schembl20212843

8. Schembl21179587

9. Glxc-22198

10. Bdbm50514545

11. Hy-156993

12. Cs-0905782

13. 1-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4-yl)-1h-indole

2.3 Create Date

2017-08-04

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₂N₂
Molecular Weight	324.5 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	8.2
Heavy Atom Count	24
Formal Charge	0
Complexity	391
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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NOP Agonist-2

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