N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride

C16H24Cl2N2O — CID 119318158

IUPACN-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccccc1Cl)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-16(2,10-12-6-3-4-8-14(12)17)19-15(20)13-7-5-9-18-11-13;/h3-4,6,8,13,18H,5,7,9-11H2,1-2H3,(H,19,20);1H
InChIKeyNUWUZTLRUSUTKE-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.20
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride

N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119318158) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119318158
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC NameN-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccccc1Cl)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-16(2,10-12-6-3-4-8-14(12)17)19-15(20)13-7-5-9-18-11-13;/h3-4,6,8,13,18H,5,7,9-11H2,1-2H3,(H,19,20);1H
InChIKeyNUWUZTLRUSUTKE-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119774356
3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119774339
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119317255
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
CID 119317256
N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119339810
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119337743
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]oxolane-2-carboxamide
CID 120792156

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119318158) is N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride is CC(C)(Cc1ccccc1Cl)NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NUWUZTLRUSUTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-16(2,10-12-6-3-4-8-14(12)17)19-15(20)13-7-5-9-18-11-13;/h3-4,6,8,13,18H,5,7,9-11H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride?
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119318158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).