N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride

C20H31ClN2O — CID 119314809

IUPACN-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC(CC1CCCCC1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C20H30N2O.ClH/c23-20(18-11-13-21-14-12-18)22-19(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16;/h2,5-6,9-10,16,18-19,21H,1,3-4,7-8,11-15H2,(H,22,23);1H
InChIKeyOCFOJCHQKGCGHD-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.24
Rot. Bonds5

About N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride

N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119314809) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119314809
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC NameN-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC(CC1CCCCC1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C20H30N2O.ClH/c23-20(18-11-13-21-14-12-18)22-19(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16;/h2,5-6,9-10,16,18-19,21H,1,3-4,7-8,11-15H2,(H,22,23);1H
InChIKeyOCFOJCHQKGCGHD-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
tert-butyl 4-[2-(cyclohexanecarbonylamino)-2-phenylethyl]piperidine-1-carboxylate
CID 137373058
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
CID 8022396
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride (CID 119314809) is N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(NC(CC1CCCCC1)c1ccccc1)C1CCNCC1.
What is the InChIKey of N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OCFOJCHQKGCGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c23-20(18-11-13-21-14-12-18)22-19(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16;/h2,5-6,9-10,16,18-19,21H,1,3-4,7-8,11-15H2,(H,22,23);1H.
What are the key properties of N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride?
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119314809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).