N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C16H20Cl3N5O — CID 119733735

IUPACN-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C16H19Cl2N5O.ClH/c1-22(9-11-6-12(17)8-13(18)7-11)16(24)15-10-23(21-20-15)14-2-4-19-5-3-14;/h6-8,10,14,19H,2-5,9H2,1H3;1H
InChIKeyDSDIRMZLUUMJCX-UHFFFAOYSA-N
MW404.73 g/mol
LogP3.20
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119733735) has the molecular formula C16H20Cl3N5O and a molecular weight of 404.73 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119733735
Molecular FormulaC16H20Cl3N5O
Molecular Weight404.73 g/mol
Exact Mass403.07
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C16H19Cl2N5O.ClH/c1-22(9-11-6-12(17)8-13(18)7-11)16(24)15-10-23(21-20-15)14-2-4-19-5-3-14;/h6-8,10,14,19H,2-5,9H2,1H3;1H
InChIKeyDSDIRMZLUUMJCX-UHFFFAOYSA-N
XLogP3.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.73
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dichlorophenyl)methyl]-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-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766864
N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680469
N-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119778568
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696278
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688580
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 64518073
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681238
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 79841941
4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
CID 63284811
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119683686

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119733735) is N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is DSDIRMZLUUMJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O.ClH/c1-22(9-11-6-12(17)8-13(18)7-11)16(24)15-10-23(21-20-15)14-2-4-19-5-3-14;/h6-8,10,14,19H,2-5,9H2,1H3;1H.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 404.73 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119733735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).