1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide

C20H27N5O — CID 42541563

IUPAC1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3ccccc3)C2)nn1
InChIInChI=1S/C20H27N5O/c26-20(21-17-9-4-5-10-17)19-15-25(23-22-19)18-11-6-12-24(14-18)13-16-7-2-1-3-8-16/h1-3,7-8,15,17-18H,4-6,9-14H2,(H,21,26)/t18-/m1/s1
InChIKeyOKZCFUDDXRNCQL-GOSISDBHSA-N
MW353.47 g/mol
LogP2.79
Rot. Bonds5

About 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide

1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide (PubChem CID 42541563) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
PubChem CID42541563
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3ccccc3)C2)nn1
InChIInChI=1S/C20H27N5O/c26-20(21-17-9-4-5-10-17)19-15-25(23-22-19)18-11-6-12-24(14-18)13-16-7-2-1-3-8-16/h1-3,7-8,15,17-18H,4-6,9-14H2,(H,21,26)/t18-/m1/s1
InChIKeyOKZCFUDDXRNCQL-GOSISDBHSA-N
XLogP2.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26351057
N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855967
N-cyclopentyl-1-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45234074
N-cyclopentyl-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230126
N-cyclopentyl-1-[(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26332983
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197
N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343330
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413
N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26344410
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide?
The IUPAC name of 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide (CID 42541563) is 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide.
What is the SMILES notation for 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide?
The canonical SMILES for 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide is O=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3ccccc3)C2)nn1.
What is the InChIKey of 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide?
The InChIKey is OKZCFUDDXRNCQL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N5O/c26-20(21-17-9-4-5-10-17)19-15-25(23-22-19)18-11-6-12-24(14-18)13-16-7-2-1-3-8-16/h1-3,7-8,15,17-18H,4-6,9-14H2,(H,21,26)/t18-/m1/s1.
What are the key properties of 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide?
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide is sourced from PubChem (CID 42541563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).