N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride

C17H27ClN2O — CID 119337743

IUPACN-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCCc1ccc(C(C)(C)NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-13-7-9-15(10-8-13)17(2,3)19-16(20)14-6-5-11-18-12-14;/h7-10,14,18H,4-6,11-12H2,1-3H3,(H,19,20);1H
InChIKeyWIQGKSKGNMKHIR-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride

N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119337743) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119337743
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCCc1ccc(C(C)(C)NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-13-7-9-15(10-8-13)17(2,3)19-16(20)14-6-5-11-18-12-14;/h7-10,14,18H,4-6,11-12H2,1-3H3,(H,19,20);1H
InChIKeyWIQGKSKGNMKHIR-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
N-[2-(3,4-difluorophenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119338110
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119317255
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
CID 119317256
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119337743) is N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride is CCc1ccc(C(C)(C)NC(=O)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WIQGKSKGNMKHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-4-13-7-9-15(10-8-13)17(2,3)19-16(20)14-6-5-11-18-12-14;/h7-10,14,18H,4-6,11-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride?
N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119337743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).