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

C20H28N2O4 — CID 119201418

IUPAC4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)NC(CCC(=O)O)c2ccccc2)C1
InChIInChI=1S/C20H28N2O4/c1-2-7-18(23)22-13-6-10-16(14-22)20(26)21-17(11-12-19(24)25)15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3,(H,21,26)(H,24,25)
InChIKeyNDGDMERBXLDLIX-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.75
Rot. Bonds8

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

4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid (PubChem CID 119201418) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
PubChem CID119201418
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
SMILESCCCC(=O)N1CCCC(C(=O)NC(CCC(=O)O)c2ccccc2)C1
InChIInChI=1S/C20H28N2O4/c1-2-7-18(23)22-13-6-10-16(14-22)20(26)21-17(11-12-19(24)25)15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3,(H,21,26)(H,24,25)
InChIKeyNDGDMERBXLDLIX-UHFFFAOYSA-N
XLogP2.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547104
3-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219172
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120567780
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022
4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61186751
N-[3-[(3aS)-5-butanoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 11649385
3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401
(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 51956555
1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 55883722

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid (CID 119201418) is 4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid is CCCC(=O)N1CCCC(C(=O)NC(CCC(=O)O)c2ccccc2)C1.
What is the InChIKey of 4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid?
The InChIKey is NDGDMERBXLDLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-7-18(23)22-13-6-10-16(14-22)20(26)21-17(11-12-19(24)25)15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid?
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid has a molecular weight of 360.45 g/mol, XLogP of 2.75, 8 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]-4-phenylbutanoic acid is sourced from PubChem (CID 119201418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).