2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid

C22H24N2O4 — CID 119165825

IUPAC2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c25-20(23-19(22(27)28)14-16-8-3-1-4-9-16)18-12-7-13-24(15-18)21(26)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,27,28)
InChIKeyIQYUHCZPHWBDND-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.35
Rot. Bonds6

About 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid

2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 119165825) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID119165825
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c25-20(23-19(22(27)28)14-16-8-3-1-4-9-16)18-12-7-13-24(15-18)21(26)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,27,28)
InChIKeyIQYUHCZPHWBDND-UHFFFAOYSA-N
XLogP2.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367535
(2S)-2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366391
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71710466
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
(2S)-2-[[(3R)-1-(2-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-[4-(2,4-dichlorophenyl)phenyl]propanoic acid
CID 70097728
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid (CID 119165825) is 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid is O=C(NC(Cc1ccccc1)C(=O)O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is IQYUHCZPHWBDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20(23-19(22(27)28)14-16-8-3-1-4-9-16)18-12-7-13-24(15-18)21(26)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,27,28).
What are the key properties of 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid?
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 380.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119165825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).