N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide

C16H23ClN2O — CID 119297349

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-16(2,12-6-8-13(17)9-7-12)11-19-15(20)14-5-3-4-10-18-14/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyQEUBSJKNGASOQA-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.88
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide

N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide (PubChem CID 119297349) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
PubChem CID119297349
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-16(2,12-6-8-13(17)9-7-12)11-19-15(20)14-5-3-4-10-18-14/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyQEUBSJKNGASOQA-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 119318660
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 115159331
N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 110461441
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170437173
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidine-2-carboxamide
CID 115159844
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314229
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide (CID 119297349) is N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide is CC(C)(CNC(=O)C1CCCCN1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide?
The InChIKey is QEUBSJKNGASOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-16(2,12-6-8-13(17)9-7-12)11-19-15(20)14-5-3-4-10-18-14/h6-9,14,18H,3-5,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide?
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide is sourced from PubChem (CID 119297349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).