4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid

C16H22N2O3 — CID 114917637

IUPAC4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
SMILESO=C(NC(CCc1ccccc1)C(=O)O)C1CCNCC1
InChIInChI=1S/C16H22N2O3/c19-15(13-8-10-17-11-9-13)18-14(16(20)21)7-6-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2,(H,18,19)(H,20,21)
InChIKeyNZAIIKFXAMQDKL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.19
Rot. Bonds6

About 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid

4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid (PubChem CID 114917637) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
PubChem CID114917637
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
SMILESO=C(NC(CCc1ccccc1)C(=O)O)C1CCNCC1
InChIInChI=1S/C16H22N2O3/c19-15(13-8-10-17-11-9-13)18-14(16(20)21)7-6-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2,(H,18,19)(H,20,21)
InChIKeyNZAIIKFXAMQDKL-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
(2S)-4-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 142848800
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399
(2S)-2-[[(4S)-2-oxo-1,3-diazepane-4-carbonyl]amino]-4-phenylbutanoic acid
CID 10381271
2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid
CID 104983382
N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
CID 119802857
(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
CID 104983243

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid?
The IUPAC name of 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid (CID 114917637) is 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid.
What is the SMILES notation for 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid?
The canonical SMILES for 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid is O=C(NC(CCc1ccccc1)C(=O)O)C1CCNCC1.
What is the InChIKey of 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid?
The InChIKey is NZAIIKFXAMQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(13-8-10-17-11-9-13)18-14(16(20)21)7-6-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11H2,(H,18,19)(H,20,21).
What are the key properties of 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid?
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 114917637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).