N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride

C16H25ClN2O — CID 119262921

IUPACN-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
SMILESCC(CCc1ccccc1)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(10-11-14-7-3-2-4-8-14)18-16(19)15-9-5-6-12-17-15;/h2-4,7-8,13,15,17H,5-6,9-12H2,1H3,(H,18,19);1H
InChIKeyQSIZCFRWVUUOST-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.69
Rot. Bonds5

About N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride

N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119262921) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119262921
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
SMILESCC(CCc1ccccc1)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(10-11-14-7-3-2-4-8-14)18-16(19)15-9-5-6-12-17-15;/h2-4,7-8,13,15,17H,5-6,9-12H2,1H3,(H,18,19);1H
InChIKeyQSIZCFRWVUUOST-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399
benzyl 3-(pyrrolidine-2-carbonylamino)butanoate
CID 18339709
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 60927015
(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide
CID 100642737
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride (CID 119262921) is N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride is CC(CCc1ccccc1)NC(=O)C1CCCCN1.Cl.
What is the InChIKey of N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is QSIZCFRWVUUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-13(10-11-14-7-3-2-4-8-14)18-16(19)15-9-5-6-12-17-15;/h2-4,7-8,13,15,17H,5-6,9-12H2,1H3,(H,18,19);1H.
What are the key properties of N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride?
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119262921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).