4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid

C21H30N2O4 — CID 120547104

IUPAC4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C21H30N2O4/c1-2-7-19(24)23-13-6-10-17(15-23)21(27)22-18(11-12-20(25)26)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,22,27)(H,25,26)
InChIKeyXDSLKLPYXAUZPY-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.62
Rot. Bonds9

About 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid

4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 120547104) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID120547104
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C21H30N2O4/c1-2-7-19(24)23-13-6-10-17(15-23)21(27)22-18(11-12-20(25)26)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,22,27)(H,25,26)
InChIKeyXDSLKLPYXAUZPY-UHFFFAOYSA-N
XLogP2.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
(3S)-1-octanoyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]piperidine-3-carboxamide
CID 135300976
3-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219172
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 100880125
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108
ethyl (3R)-4-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoate;2,2,2-trifluoroacetic acid
CID 70112276
1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
CID 55931737
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid (CID 120547104) is 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid is CCCC(=O)N1CCCC(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1.
What is the InChIKey of 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is XDSLKLPYXAUZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-2-7-19(24)23-13-6-10-17(15-23)21(27)22-18(11-12-20(25)26)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,22,27)(H,25,26).
What are the key properties of 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid?
4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 374.48 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).