N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide

C32H38N2O2 — CID 91306761

IUPACN-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
SMILESCOc1cccc(N(C(=O)Cc2ccccc2)C2CCN([C@@H]3CCCC[C@@H]3c3ccccc3)CC2)c1
InChIInChI=1S/C32H38N2O2/c1-36-29-16-10-15-28(24-29)34(32(35)23-25-11-4-2-5-12-25)27-19-21-33(22-20-27)31-18-9-8-17-30(31)26-13-6-3-7-14-26/h2-7,10-16,24,27,30-31H,8-9,17-23H2,1H3/t30-,31-/m1/s1
InChIKeyYAPWRATYQUCIAU-FIRIVFDPSA-N
MW482.67 g/mol
LogP6.46
Rot. Bonds7

About N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide

N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide (PubChem CID 91306761) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
PubChem CID91306761
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC NameN-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
SMILESCOc1cccc(N(C(=O)Cc2ccccc2)C2CCN([C@@H]3CCCC[C@@H]3c3ccccc3)CC2)c1
InChIInChI=1S/C32H38N2O2/c1-36-29-16-10-15-28(24-29)34(32(35)23-25-11-4-2-5-12-25)27-19-21-33(22-20-27)31-18-9-8-17-30(31)26-13-6-3-7-14-26/h2-7,10-16,24,27,30-31H,8-9,17-23H2,1H3/t30-,31-/m1/s1
InChIKeyYAPWRATYQUCIAU-FIRIVFDPSA-N
XLogP6.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 90851608
4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91207633
3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91128636
3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 90709522
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91233195
N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91468186
N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide
CID 87949376

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide (CID 91306761) is N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide is COc1cccc(N(C(=O)Cc2ccccc2)C2CCN([C@@H]3CCCC[C@@H]3c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide?
The InChIKey is YAPWRATYQUCIAU-FIRIVFDPSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-36-29-16-10-15-28(24-29)34(32(35)23-25-11-4-2-5-12-25)27-19-21-33(22-20-27)31-18-9-8-17-30(31)26-13-6-3-7-14-26/h2-7,10-16,24,27,30-31H,8-9,17-23H2,1H3/t30-,31-/m1/s1.
What are the key properties of N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide?
N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide has a molecular weight of 482.67 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91306761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).