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

C16H23Cl3N2O — CID 119311595

IUPACN-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCCNC1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-16(2,12-5-6-13(17)14(18)8-12)10-20-15(21)11-4-3-7-19-9-11;/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3,(H,20,21);1H
InChIKeyNJRKQORTQJUFRP-UHFFFAOYSA-N
MW365.73 g/mol
LogP3.81
Rot. Bonds4

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

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119311595) has the molecular formula C16H23Cl3N2O and a molecular weight of 365.73 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119311595
Molecular FormulaC16H23Cl3N2O
Molecular Weight365.73 g/mol
Exact Mass364.09
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCCNC1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-16(2,12-5-6-13(17)14(18)8-12)10-20-15(21)11-4-3-7-19-9-11;/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3,(H,20,21);1H
InChIKeyNJRKQORTQJUFRP-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.73
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 119320715
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 119760054
N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
CID 119318824
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]piperidine-4-carboxamide;hydrochloride
CID 75429785
N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
CID 115159125
N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119756911
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride (CID 119311595) is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride is CC(C)(CNC(=O)C1CCCNC1)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NJRKQORTQJUFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O.ClH/c1-16(2,12-5-6-13(17)14(18)8-12)10-20-15(21)11-4-3-7-19-9-11;/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 365.73 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119311595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).