3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide

C31H34Cl2N2O2 — CID 91128636

IUPAC3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(Cl)c(Cl)c2)C2CCN(C3CCCCC3c3ccccc3)CC2)cc1
InChIInChI=1S/C31H34Cl2N2O2/c1-37-26-14-12-24(13-15-26)35(31(36)23-11-16-28(32)29(33)21-23)25-17-19-34(20-18-25)30-10-6-5-9-27(30)22-7-3-2-4-8-22/h2-4,7-8,11-16,21,25,27,30H,5-6,9-10,17-20H2,1H3
InChIKeyFPRQYSQWBYOHFZ-UHFFFAOYSA-N
MW537.53 g/mol
LogP7.84
Rot. Bonds6

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

3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (PubChem CID 91128636) has the molecular formula C31H34Cl2N2O2 and a molecular weight of 537.53 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
PubChem CID91128636
Molecular FormulaC31H34Cl2N2O2
Molecular Weight537.53 g/mol
Exact Mass536.20
IUPAC Name3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(Cl)c(Cl)c2)C2CCN(C3CCCCC3c3ccccc3)CC2)cc1
InChIInChI=1S/C31H34Cl2N2O2/c1-37-26-14-12-24(13-15-26)35(31(36)23-11-16-28(32)29(33)21-23)25-17-19-34(20-18-25)30-10-6-5-9-27(30)22-7-3-2-4-8-22/h2-4,7-8,11-16,21,25,27,30H,5-6,9-10,17-20H2,1H3
InChIKeyFPRQYSQWBYOHFZ-UHFFFAOYSA-N
XLogP7.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.53
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91312760
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
N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91353172
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
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
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
4-chloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 91541603
N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
CID 91306761
5-chloro-N-[3-(dimethylamino)phenyl]-1-methyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 91391061
N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide
CID 87949376

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (CID 91128636) is 3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is COc1ccc(N(C(=O)c2ccc(Cl)c(Cl)c2)C2CCN(C3CCCCC3c3ccccc3)CC2)cc1.
What is the InChIKey of 3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The InChIKey is FPRQYSQWBYOHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl2N2O2/c1-37-26-14-12-24(13-15-26)35(31(36)23-11-16-28(32)29(33)21-23)25-17-19-34(20-18-25)30-10-6-5-9-27(30)22-7-3-2-4-8-22/h2-4,7-8,11-16,21,25,27,30H,5-6,9-10,17-20H2,1H3.
What are the key properties of 3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide has a molecular weight of 537.53 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91128636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).