N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H22Cl3N5O — CID 119717468

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C17H21Cl2N5O.ClH/c1-11(14-4-3-12(18)9-15(14)19)23(2)17(25)16-10-24(22-21-16)13-5-7-20-8-6-13;/h3-4,9-11,13,20H,5-8H2,1-2H3;1H
InChIKeyYDROXQYLUSKGGX-UHFFFAOYSA-N
MW418.76 g/mol
LogP3.76
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119717468) has the molecular formula C17H22Cl3N5O and a molecular weight of 418.76 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119717468
Molecular FormulaC17H22Cl3N5O
Molecular Weight418.76 g/mol
Exact Mass417.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C17H21Cl2N5O.ClH/c1-11(14-4-3-12(18)9-15(14)19)23(2)17(25)16-10-24(22-21-16)13-5-7-20-8-6-13;/h3-4,9-11,13,20H,5-8H2,1-2H3;1H
InChIKeyYDROXQYLUSKGGX-UHFFFAOYSA-N
XLogP3.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-(4-ethylsulfanylbutan-2-yl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119817468
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119733735
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941
N-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119778568
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119683686
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696278
N-(5-chloro-2-ethylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119776568
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119718961
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119717468) is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is YDROXQYLUSKGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5O.ClH/c1-11(14-4-3-12(18)9-15(14)19)23(2)17(25)16-10-24(22-21-16)13-5-7-20-8-6-13;/h3-4,9-11,13,20H,5-8H2,1-2H3;1H.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 418.76 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119717468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).