1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide

C32H37N3O2 — CID 46171987

IUPAC1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C32H37N3O2/c1-24-12-14-28(15-13-24)33-31(36)27-16-20-34(21-17-27)29-18-22-35(23-19-29)32(37)30(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27,29-30H,16-23H2,1H3,(H,33,36)
InChIKeyGKDOUPVOYCYAGC-UHFFFAOYSA-N
MW495.67 g/mol
LogP5.47
Rot. Bonds6

About 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide

1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 46171987) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID46171987
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC Name1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C32H37N3O2/c1-24-12-14-28(15-13-24)33-31(36)27-16-20-34(21-17-27)29-18-22-35(23-19-29)32(37)30(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27,29-30H,16-23H2,1H3,(H,33,36)
InChIKeyGKDOUPVOYCYAGC-UHFFFAOYSA-N
XLogP5.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035153
N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693352
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-(2,2-diphenylacetyl)-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
CID 74824215
1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide (CID 46171987) is 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is GKDOUPVOYCYAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-24-12-14-28(15-13-24)33-31(36)27-16-20-34(21-17-27)29-18-22-35(23-19-29)32(37)30(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27,29-30H,16-23H2,1H3,(H,33,36).
What are the key properties of 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide?
1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46171987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).