N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C22H28Cl2N6O — CID 119887634

IUPACN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1ccc(CC(NC(=O)c2cn(C3CCNCC3)nn2)c2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C22H26N6O.2ClH/c1-16-5-7-17(8-6-16)14-20(19-4-2-3-11-24-19)25-22(29)21-15-28(27-26-21)18-9-12-23-13-10-18;;/h2-8,11,15,18,20,23H,9-10,12-14H2,1H3,(H,25,29);2*1H
InChIKeyCNTBNZHKVKWMIU-UHFFFAOYSA-N
MW463.41 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119887634) has the molecular formula C22H28Cl2N6O and a molecular weight of 463.41 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119887634
Molecular FormulaC22H28Cl2N6O
Molecular Weight463.41 g/mol
Exact Mass462.17
IUPAC NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1ccc(CC(NC(=O)c2cn(C3CCNCC3)nn2)c2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C22H26N6O.2ClH/c1-16-5-7-17(8-6-16)14-20(19-4-2-3-11-24-19)25-22(29)21-15-28(27-26-21)18-9-12-23-13-10-18;;/h2-8,11,15,18,20,23H,9-10,12-14H2,1H3,(H,25,29);2*1H
InChIKeyCNTBNZHKVKWMIU-UHFFFAOYSA-N
XLogP3.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride 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-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734870
N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119782809
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734871
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567852
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-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[1-(4-chlorophenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119699892
1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide
CID 45234511

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119887634) is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cc1ccc(CC(NC(=O)c2cn(C3CCNCC3)nn2)c2ccccn2)cc1.Cl.Cl.
What is the InChIKey of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is CNTBNZHKVKWMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O.2ClH/c1-16-5-7-17(8-6-16)14-20(19-4-2-3-11-24-19)25-22(29)21-15-28(27-26-21)18-9-12-23-13-10-18;;/h2-8,11,15,18,20,23H,9-10,12-14H2,1H3,(H,25,29);2*1H.
What are the key properties of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 463.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119887634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).