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

C18H29ClN2O — CID 119334163

IUPACN-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
SMILESCCc1ccc(C(C)(C)CNC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-14-7-9-16(10-8-14)18(2,3)13-20-17(21)15-6-5-11-19-12-15;/h7-10,15,19H,4-6,11-13H2,1-3H3,(H,20,21);1H
InChIKeyWDRLJRPHLZPJOR-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.06
Rot. Bonds5

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

N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119334163) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119334163
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
SMILESCCc1ccc(C(C)(C)CNC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-14-7-9-16(10-8-14)18(2,3)13-20-17(21)15-6-5-11-19-12-15;/h7-10,15,19H,4-6,11-13H2,1-3H3,(H,20,21);1H
InChIKeyWDRLJRPHLZPJOR-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119337743
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119334148
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119311595
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 119320715
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
CID 115159125
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 119760054
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride (CID 119334163) is N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride is CCc1ccc(C(C)(C)CNC(=O)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WDRLJRPHLZPJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-4-14-7-9-16(10-8-14)18(2,3)13-20-17(21)15-6-5-11-19-12-15;/h7-10,15,19H,4-6,11-13H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119334163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).