N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride

C16H23Cl3N2O — CID 119339810

IUPACN-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-16(2,10-12-3-4-13(17)9-14(12)18)20-15(21)11-5-7-19-8-6-11;/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,21);1H
InChIKeyZWGWDRJGXFFDJY-UHFFFAOYSA-N
MW365.73 g/mol
LogP3.85
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride

N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119339810) has the molecular formula C16H23Cl3N2O and a molecular weight of 365.73 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID119339810
Molecular FormulaC16H23Cl3N2O
Molecular Weight365.73 g/mol
Exact Mass364.09
IUPAC NameN-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-16(2,10-12-3-4-13(17)9-14(12)18)20-15(21)11-5-7-19-8-6-11;/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,21);1H
InChIKeyZWGWDRJGXFFDJY-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119318158
N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 44890741
4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149558
N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
CID 119315399
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 91647284
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119774356
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 171622043
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride
CID 119323089
3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119774339
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride (CID 119339810) is N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride is CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZWGWDRJGXFFDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O.ClH/c1-16(2,10-12-3-4-13(17)9-14(12)18)20-15(21)11-5-7-19-8-6-11;/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride?
N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 365.73 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119339810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).