N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide

C20H28N6O — CID 119855967

IUPACN-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H28N6O/c27-20(19-15-26(24-23-19)18-8-10-21-11-9-18)22-17-7-4-12-25(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,15,17-18,21H,4,7-14H2,(H,22,27)
InChIKeyMVOYZCNWKJPPIE-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.60
Rot. Bonds5

About N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide

N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119855967) has the molecular formula C20H28N6O and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119855967
Molecular FormulaC20H28N6O
Molecular Weight368.48 g/mol
Exact Mass368.23
IUPAC NameN-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H28N6O/c27-20(19-15-26(24-23-19)18-8-10-21-11-9-18)22-17-7-4-12-25(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,15,17-18,21H,4,7-14H2,(H,22,27)
InChIKeyMVOYZCNWKJPPIE-UHFFFAOYSA-N
XLogP1.60
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide 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

1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379
N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119855950
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119774767
N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26351057
N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 167792374
N-[1-(3-fluorophenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119884129
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide
CID 119862108
N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 63235597
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374
N-cyclopentyl-1-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45234074

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119855967) is N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(NC1CCCN(Cc2ccccc2)C1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is MVOYZCNWKJPPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-20(19-15-26(24-23-19)18-8-10-21-11-9-18)22-17-7-4-12-25(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,15,17-18,21H,4,7-14H2,(H,22,27).
What are the key properties of N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.60, 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)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119855967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).