N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H25Cl2N5O — CID 119789668

IUPACN-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1cn(C2CCNCC2)nn1)c1ccccc1Cl.Cl
InChIInChI=1S/C18H24ClN5O.ClH/c1-12(2)17(14-5-3-4-6-15(14)19)21-18(25)16-11-24(23-22-16)13-7-9-20-10-8-13;/h3-6,11-13,17,20H,7-10H2,1-2H3,(H,21,25);1H
InChIKeyWLPSOTPICXCWLJ-UHFFFAOYSA-N
MW398.34 g/mol
LogP3.40
Rot. Bonds5

About N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119789668) has the molecular formula C18H25Cl2N5O and a molecular weight of 398.34 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119789668
Molecular FormulaC18H25Cl2N5O
Molecular Weight398.34 g/mol
Exact Mass397.14
IUPAC NameN-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1cn(C2CCNCC2)nn1)c1ccccc1Cl.Cl
InChIInChI=1S/C18H24ClN5O.ClH/c1-12(2)17(14-5-3-4-6-15(14)19)21-18(25)16-11-24(23-22-16)13-7-9-20-10-8-13;/h3-6,11-13,17,20H,7-10H2,1-2H3,(H,21,25);1H
InChIKeyWLPSOTPICXCWLJ-UHFFFAOYSA-N
XLogP3.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119782809
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119871699
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119789668) is N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(C)C(NC(=O)c1cn(C2CCNCC2)nn1)c1ccccc1Cl.Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is WLPSOTPICXCWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O.ClH/c1-12(2)17(14-5-3-4-6-15(14)19)21-18(25)16-11-24(23-22-16)13-7-9-20-10-8-13;/h3-6,11-13,17,20H,7-10H2,1-2H3,(H,21,25);1H.
What are the key properties of N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 398.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119789668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).