(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide

C27H28N2O2 — CID 27745627

IUPAC(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C27H28N2O2/c30-26(19-25(21-11-4-1-5-12-21)22-13-6-2-7-14-22)29-18-10-15-23(20-29)27(31)28-24-16-8-3-9-17-24/h1-9,11-14,16-17,23,25H,10,15,18-20H2,(H,28,31)/t23-/m0/s1
InChIKeyQQXTUGLQDQMZMQ-QHCPKHFHSA-N
MW412.53 g/mol
LogP5.09
Rot. Bonds6

About (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide

(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 27745627) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID27745627
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C27H28N2O2/c30-26(19-25(21-11-4-1-5-12-21)22-13-6-2-7-14-22)29-18-10-15-23(20-29)27(31)28-24-16-8-3-9-17-24/h1-9,11-14,16-17,23,25H,10,15,18-20H2,(H,28,31)/t23-/m0/s1
InChIKeyQQXTUGLQDQMZMQ-QHCPKHFHSA-N
XLogP5.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
CID 24560730
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 134051532
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 18110525
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide (CID 27745627) is (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is QQXTUGLQDQMZMQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H28N2O2/c30-26(19-25(21-11-4-1-5-12-21)22-13-6-2-7-14-22)29-18-10-15-23(20-29)27(31)28-24-16-8-3-9-17-24/h1-9,11-14,16-17,23,25H,10,15,18-20H2,(H,28,31)/t23-/m0/s1.
What are the key properties of (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide?
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 27745627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).