N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride

C16H25ClN2O — CID 119337319

IUPACN-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(N(C)C(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)13-4-6-15(7-5-13)18(3)16(19)14-8-10-17-11-9-14;/h4-7,12,14,17H,8-11H2,1-3H3;1H
InChIKeyNJJNOSKDXONNGU-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.19
Rot. Bonds3

About N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride

N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119337319) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119337319
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(N(C)C(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)13-4-6-15(7-5-13)18(3)16(19)14-8-10-17-11-9-14;/h4-7,12,14,17H,8-11H2,1-3H3;1H
InChIKeyNJJNOSKDXONNGU-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120636707
N-(4-hydroxyphenyl)-N-methylpiperidine-4-carboxamide
CID 107734326
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119300459
N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119752994
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 62002271
N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160298
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride (CID 119337319) is N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride is CC(C)c1ccc(N(C)C(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is NJJNOSKDXONNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12(2)13-4-6-15(7-5-13)18(3)16(19)14-8-10-17-11-9-14;/h4-7,12,14,17H,8-11H2,1-3H3;1H.
What are the key properties of N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119337319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).