N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide

C32H38N2O — CID 91468186

IUPACN-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCc1cc(C)cc(N(C(=O)c2ccccc2)C2CCN(C3CCCCC3c3ccccc3)CC2)c1
InChIInChI=1S/C32H38N2O/c1-24-21-25(2)23-29(22-24)34(32(35)27-13-7-4-8-14-27)28-17-19-33(20-18-28)31-16-10-9-15-30(31)26-11-5-3-6-12-26/h3-8,11-14,21-23,28,30-31H,9-10,15-20H2,1-2H3
InChIKeyXHCJDQZLBFVFEK-UHFFFAOYSA-N
MW466.67 g/mol
LogP7.14
Rot. Bonds5

About N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide

N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (PubChem CID 91468186) has the molecular formula C32H38N2O and a molecular weight of 466.67 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
PubChem CID91468186
Molecular FormulaC32H38N2O
Molecular Weight466.67 g/mol
Exact Mass466.30
IUPAC NameN-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCc1cc(C)cc(N(C(=O)c2ccccc2)C2CCN(C3CCCCC3c3ccccc3)CC2)c1
InChIInChI=1S/C32H38N2O/c1-24-21-25(2)23-29(22-24)34(32(35)27-13-7-4-8-14-27)28-17-19-33(20-18-28)31-16-10-9-15-30(31)26-11-5-3-6-12-26/h3-8,11-14,21-23,28,30-31H,9-10,15-20H2,1-2H3
InChIKeyXHCJDQZLBFVFEK-UHFFFAOYSA-N
XLogP7.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 57.14
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-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91353172
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
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
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
3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91128636
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
5-chloro-N-[3-(dimethylamino)phenyl]-1-methyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 91391061
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 N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (CID 91468186) is N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is Cc1cc(C)cc(N(C(=O)c2ccccc2)C2CCN(C3CCCCC3c3ccccc3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The InChIKey is XHCJDQZLBFVFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O/c1-24-21-25(2)23-29(22-24)34(32(35)27-13-7-4-8-14-27)28-17-19-33(20-18-28)31-16-10-9-15-30(31)26-11-5-3-6-12-26/h3-8,11-14,21-23,28,30-31H,9-10,15-20H2,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide has a molecular weight of 466.67 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91468186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).