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

C32H38N2O3 — CID 91125540

IUPAC3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)N(c2cccc(OC)c2)C2CCN(C3CCCCC3c3ccccc3)CC2)c1
InChIInChI=1S/C32H38N2O3/c1-36-28-14-8-12-25(22-28)32(35)34(27-13-9-15-29(23-27)37-2)26-18-20-33(21-19-26)31-17-7-6-16-30(31)24-10-4-3-5-11-24/h3-5,8-15,22-23,26,30-31H,6-7,16-21H2,1-2H3
InChIKeyYLGLTEDJCXUVIF-UHFFFAOYSA-N
MW498.67 g/mol
LogP6.54
Rot. Bonds7

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

3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (PubChem CID 91125540) has the molecular formula C32H38N2O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is 3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
PubChem CID91125540
Molecular FormulaC32H38N2O3
Molecular Weight498.67 g/mol
Exact Mass498.29
IUPAC Name3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)N(c2cccc(OC)c2)C2CCN(C3CCCCC3c3ccccc3)CC2)c1
InChIInChI=1S/C32H38N2O3/c1-36-28-14-8-12-25(22-28)32(35)34(27-13-9-15-29(23-27)37-2)26-18-20-33(21-19-26)31-17-7-6-16-30(31)24-10-4-3-5-11-24/h3-5,8-15,22-23,26,30-31H,6-7,16-21H2,1-2H3
InChIKeyYLGLTEDJCXUVIF-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-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
CID 91306761
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91128636
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
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
N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide
CID 175598957
4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91207633
3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 90709522

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (CID 91125540) is 3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is COc1cccc(C(=O)N(c2cccc(OC)c2)C2CCN(C3CCCCC3c3ccccc3)CC2)c1.
What is the InChIKey of 3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The InChIKey is YLGLTEDJCXUVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3/c1-36-28-14-8-12-25(22-28)32(35)34(27-13-9-15-29(23-27)37-2)26-18-20-33(21-19-26)31-17-7-6-16-30(31)24-10-4-3-5-11-24/h3-5,8-15,22-23,26,30-31H,6-7,16-21H2,1-2H3.
What are the key properties of 3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
3-methoxy-N-(3-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-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91125540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).