(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide

C20H22N4O3 — CID 51928183

IUPAC(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(NNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C20H22N4O3/c25-18(21-17-11-5-2-6-12-17)16-10-7-13-24(14-16)20(27)23-22-19(26)15-8-3-1-4-9-15/h1-6,8-9,11-12,16H,7,10,13-14H2,(H,21,25)(H,22,26)(H,23,27)/t16-/m1/s1
InChIKeyJAIDPIGJYGREFF-MRXNPFEDSA-N
MW366.42 g/mol
LogP2.39
Rot. Bonds3

About (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide

(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 51928183) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID51928183
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(NNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C20H22N4O3/c25-18(21-17-11-5-2-6-12-17)16-10-7-13-24(14-16)20(27)23-22-19(26)15-8-3-1-4-9-15/h1-6,8-9,11-12,16H,7,10,13-14H2,(H,21,25)(H,22,26)(H,23,27)/t16-/m1/s1
InChIKeyJAIDPIGJYGREFF-MRXNPFEDSA-N
XLogP2.39
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 8870757
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide (CID 51928183) is (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide is O=C(NNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1.
What is the InChIKey of (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is JAIDPIGJYGREFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-18(21-17-11-5-2-6-12-17)16-10-7-13-24(14-16)20(27)23-22-19(26)15-8-3-1-4-9-15/h1-6,8-9,11-12,16H,7,10,13-14H2,(H,21,25)(H,22,26)(H,23,27)/t16-/m1/s1.
What are the key properties of (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide?
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 51928183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).