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

C32H38N2O3 — CID 91137183

IUPAC3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(N(C(=O)c2cccc(OC)c2)C2CCN(C3CCCCC3c3ccccc3)CC2)cc1
InChIInChI=1S/C32H38N2O3/c1-36-28-17-15-26(16-18-28)34(32(35)25-11-8-12-29(23-25)37-2)27-19-21-33(22-20-27)31-14-7-6-13-30(31)24-9-4-3-5-10-24/h3-5,8-12,15-18,23,27,30-31H,6-7,13-14,19-22H2,1-2H3
InChIKeySMDVCVOXQYWJCZ-UHFFFAOYSA-N
MW498.67 g/mol
LogP6.54
Rot. Bonds7

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

3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (PubChem CID 91137183) has the molecular formula C32H38N2O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is 3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
PubChem CID91137183
Molecular FormulaC32H38N2O3
Molecular Weight498.67 g/mol
Exact Mass498.29
IUPAC Name3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(N(C(=O)c2cccc(OC)c2)C2CCN(C3CCCCC3c3ccccc3)CC2)cc1
InChIInChI=1S/C32H38N2O3/c1-36-28-17-15-26(16-18-28)34(32(35)25-11-8-12-29(23-25)37-2)27-19-21-33(22-20-27)31-14-7-6-13-30(31)24-9-4-3-5-10-24/h3-5,8-12,15-18,23,27,30-31H,6-7,13-14,19-22H2,1-2H3
InChIKeySMDVCVOXQYWJCZ-UHFFFAOYSA-N
XLogP6.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91468186
N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
CID 91306761
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
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 90851608
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
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-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (CID 91137183) is 3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is COc1ccc(N(C(=O)c2cccc(OC)c2)C2CCN(C3CCCCC3c3ccccc3)CC2)cc1.
What is the InChIKey of 3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The InChIKey is SMDVCVOXQYWJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3/c1-36-28-17-15-26(16-18-28)34(32(35)25-11-8-12-29(23-25)37-2)27-19-21-33(22-20-27)31-14-7-6-13-30(31)24-9-4-3-5-10-24/h3-5,8-12,15-18,23,27,30-31H,6-7,13-14,19-22H2,1-2H3.
What are the key properties of 3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide has a molecular weight of 498.67 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91137183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).