4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid

C16H22N2O3 — CID 122021606

IUPAC4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c19-15(20)7-4-10-17-16(21)18-11-8-14(9-12-18)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,21)(H,19,20)
InChIKeySHNPYHCTSVJSFU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.44
Rot. Bonds5

About 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid

4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 122021606) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID122021606
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c19-15(20)7-4-10-17-16(21)18-11-8-14(9-12-18)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,21)(H,19,20)
InChIKeySHNPYHCTSVJSFU-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide
CID 66937642
4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122021569
4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
CID 61183899
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948
N-[4-oxo-4-[(4S)-4-phenylazepan-1-yl]butyl]cyclopropanecarboxamide
CID 95174990
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
4-[[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021856
4-[(4-phenylcyclohexyl)methylamino]butanoic acid
CID 122035940
4-[[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021549
propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
CID 86870723
(4S)-N-(2-imidazol-1-ylethyl)-4-phenylazepane-1-carboxamide
CID 95186692
7-(1,3-dihydroisoindole-2-carbonylamino)heptanoic acid
CID 62230506

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid (CID 122021606) is 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is SHNPYHCTSVJSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(20)7-4-10-17-16(21)18-11-8-14(9-12-18)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,21)(H,19,20).
What are the key properties of 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid?
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 122021606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).