N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide

C22H31N5O — CID 26351057

IUPACN-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn([C@@H]2CCCN(CCCc3ccccc3)C2)nn1
InChIInChI=1S/C22H31N5O/c28-22(23-19-11-4-5-12-19)21-17-27(25-24-21)20-13-7-15-26(16-20)14-6-10-18-8-2-1-3-9-18/h1-3,8-9,17,19-20H,4-7,10-16H2,(H,23,28)/t20-/m1/s1
InChIKeyNIJVTORPUWNCKO-HXUWFJFHSA-N
MW381.52 g/mol
LogP3.22
Rot. Bonds7

About N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide

N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 26351057) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID26351057
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn([C@@H]2CCCN(CCCc3ccccc3)C2)nn1
InChIInChI=1S/C22H31N5O/c28-22(23-19-11-4-5-12-19)21-17-27(25-24-21)20-13-7-15-26(16-20)14-6-10-18-8-2-1-3-9-18/h1-3,8-9,17,19-20H,4-7,10-16H2,(H,23,28)/t20-/m1/s1
InChIKeyNIJVTORPUWNCKO-HXUWFJFHSA-N
XLogP3.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26344410
[1-[1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45216946
N-cyclopentyl-1-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45234074
N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855967
N-cyclopentyl-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230126
1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26281259
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125021653
N-cyclopentyl-1-[(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26332983
N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343423
N-propan-2-yl-1-[(3R)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343421

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide (CID 26351057) is N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide is O=C(NC1CCCC1)c1cn([C@@H]2CCCN(CCCc3ccccc3)C2)nn1.
What is the InChIKey of N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is NIJVTORPUWNCKO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H31N5O/c28-22(23-19-11-4-5-12-19)21-17-27(25-24-21)20-13-7-15-26(16-20)14-6-10-18-8-2-1-3-9-18/h1-3,8-9,17,19-20H,4-7,10-16H2,(H,23,28)/t20-/m1/s1.
What are the key properties of N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide?
N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 26351057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).