2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide

C31H36N2O — CID 91172689

IUPAC2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)N(c1ccccc1)C1CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C31H36N2O/c1-24-12-8-9-17-28(24)31(34)33(26-15-6-3-7-16-26)27-20-22-32(23-21-27)30-19-11-10-18-29(30)25-13-4-2-5-14-25/h2-9,12-17,27,29-30H,10-11,18-23H2,1H3
InChIKeyRRSJBFCRPAMWOJ-UHFFFAOYSA-N
MW452.64 g/mol
LogP6.83
Rot. Bonds5

About 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide

2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (PubChem CID 91172689) has the molecular formula C31H36N2O and a molecular weight of 452.64 g/mol. Its IUPAC name is 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
PubChem CID91172689
Molecular FormulaC31H36N2O
Molecular Weight452.64 g/mol
Exact Mass452.28
IUPAC Name2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)N(c1ccccc1)C1CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C31H36N2O/c1-24-12-8-9-17-28(24)31(34)33(26-15-6-3-7-16-26)27-20-22-32(23-21-27)30-19-11-10-18-29(30)25-13-4-2-5-14-25/h2-9,12-17,27,29-30H,10-11,18-23H2,1H3
InChIKeyRRSJBFCRPAMWOJ-UHFFFAOYSA-N
XLogP6.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
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
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 90736407
N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91353172
3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91312760
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91233195
5-chloro-N-[3-(dimethylamino)phenyl]-1-methyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 91391061
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91128636
N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
CID 91306761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (CID 91172689) is 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is Cc1ccccc1C(=O)N(c1ccccc1)C1CCN(C2CCCCC2c2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The InChIKey is RRSJBFCRPAMWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O/c1-24-12-8-9-17-28(24)31(34)33(26-15-6-3-7-16-26)27-20-22-32(23-21-27)30-19-11-10-18-29(30)25-13-4-2-5-14-25/h2-9,12-17,27,29-30H,10-11,18-23H2,1H3.
What are the key properties of 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide has a molecular weight of 452.64 g/mol, XLogP of 6.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91172689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).