N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C21H32Cl2N6O — CID 119855950

IUPACN-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NC2CCCN(Cc3ccccc3)C2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H30N6O.2ClH/c1-16-20(24-25-27(16)19-9-11-22-12-10-19)21(28)23-18-8-5-13-26(15-18)14-17-6-3-2-4-7-17;;/h2-4,6-7,18-19,22H,5,8-15H2,1H3,(H,23,28);2*1H
InChIKeyZYVOCBOKHOBPDD-UHFFFAOYSA-N
MW455.43 g/mol
LogP2.75
Rot. Bonds5

About N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119855950) has the molecular formula C21H32Cl2N6O and a molecular weight of 455.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119855950
Molecular FormulaC21H32Cl2N6O
Molecular Weight455.43 g/mol
Exact Mass454.20
IUPAC NameN-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NC2CCCN(Cc3ccccc3)C2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H30N6O.2ClH/c1-16-20(24-25-27(16)19-9-11-22-12-10-19)21(28)23-18-8-5-13-26(15-18)14-17-6-3-2-4-7-17;;/h2-4,6-7,18-19,22H,5,8-15H2,1H3,(H,23,28);2*1H
InChIKeyZYVOCBOKHOBPDD-UHFFFAOYSA-N
XLogP2.75
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-3-yl)-5-methyl-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-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride
CID 119847239
N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855967
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119399369
5-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851514
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119899491
N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811005
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
N-(3-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793290
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119721741
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119855950) is N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)NC2CCCN(Cc3ccccc3)C2)nnn1C1CCNCC1.Cl.Cl.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is ZYVOCBOKHOBPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O.2ClH/c1-16-20(24-25-27(16)19-9-11-22-12-10-19)21(28)23-18-8-5-13-26(15-18)14-17-6-3-2-4-7-17;;/h2-4,6-7,18-19,22H,5,8-15H2,1H3,(H,23,28);2*1H.
What are the key properties of N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 455.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119855950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).