1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide

C23H29N3O2 — CID 119429433

IUPAC1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCNCCCNC(=O)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-24-15-8-16-25-23(28)20-13-14-21(27)26(17-18-9-4-2-5-10-18)22(20)19-11-6-3-7-12-19/h2-7,9-12,20,22,24H,8,13-17H2,1H3,(H,25,28)
InChIKeyNBCWGYCHLUEDSE-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.89
Rot. Bonds8

About 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide

1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 119429433) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID119429433
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCNCCCNC(=O)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-24-15-8-16-25-23(28)20-13-14-21(27)26(17-18-9-4-2-5-10-18)22(20)19-11-6-3-7-12-19/h2-7,9-12,20,22,24H,8,13-17H2,1H3,(H,25,28)
InChIKeyNBCWGYCHLUEDSE-UHFFFAOYSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
CID 119170729
(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86950512
(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 101404404
1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119509741
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 47060248
1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86847999
(2S,3S)-1-benzyl-6-oxo-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 40800623
1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86896722
(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
CID 94582684
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide (CID 119429433) is 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide is CNCCCNC(=O)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is NBCWGYCHLUEDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24-15-8-16-25-23(28)20-13-14-21(27)26(17-18-9-4-2-5-10-18)22(20)19-11-6-3-7-12-19/h2-7,9-12,20,22,24H,8,13-17H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 119429433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).