4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid

C23H26N2O4 — CID 119170729

IUPAC4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H26N2O4/c26-20-14-13-19(23(29)24-15-7-12-21(27)28)22(18-10-5-2-6-11-18)25(20)16-17-8-3-1-4-9-17/h1-6,8-11,19,22H,7,12-16H2,(H,24,29)(H,27,28)
InChIKeyJNWOIRAYKKRAHI-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.15
Rot. Bonds8

About 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid

4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 119170729) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
PubChem CID119170729
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H26N2O4/c26-20-14-13-19(23(29)24-15-7-12-21(27)28)22(18-10-5-2-6-11-18)25(20)16-17-8-3-1-4-9-17/h1-6,8-11,19,22H,7,12-16H2,(H,24,29)(H,27,28)
InChIKeyJNWOIRAYKKRAHI-UHFFFAOYSA-N
XLogP3.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.15
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

1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433
(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
(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
1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86950512
1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 47060248
(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
CID 94582684
1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86847999
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride
CID 119400053
1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86896722
(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7784530

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid (CID 119170729) is 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is JNWOIRAYKKRAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-20-14-13-19(23(29)24-15-7-12-21(27)28)22(18-10-5-2-6-11-18)25(20)16-17-8-3-1-4-9-17/h1-6,8-11,19,22H,7,12-16H2,(H,24,29)(H,27,28).
What are the key properties of 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid?
4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 394.47 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119170729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).