N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide

C20H29N7O — CID 95219826

IUPACN-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide
SMILESCC(C)c1ccc(N2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)nn1
InChIInChI=1S/C20H29N7O/c1-14(2)17-9-10-19(24-22-17)26-11-5-8-16(12-26)27-13-18(23-25-27)20(28)21-15-6-3-4-7-15/h9-10,13-16H,3-8,11-12H2,1-2H3,(H,21,28)/t16-/m1/s1
InChIKeyNPWHLDHJXHKRRO-MRXNPFEDSA-N
MW383.50 g/mol
LogP2.71
Rot. Bonds5

About N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide

N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 95219826) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID95219826
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide
SMILESCC(C)c1ccc(N2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)nn1
InChIInChI=1S/C20H29N7O/c1-14(2)17-9-10-19(24-22-17)26-11-5-8-16(12-26)27-13-18(23-25-27)20(28)21-15-6-3-4-7-15/h9-10,13-16H,3-8,11-12H2,1-2H3,(H,21,28)/t16-/m1/s1
InChIKeyNPWHLDHJXHKRRO-MRXNPFEDSA-N
XLogP2.71
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide
CID 56712352
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26351057
1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide
CID 95202808
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-cyclopentyl-1-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45234074
1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide
CID 166428131
N-cyclopentyl-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230126
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054898
N-cyclopentyl-1-[(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26332983
1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide
CID 98273747

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide (CID 95219826) is N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide is CC(C)c1ccc(N2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)nn1.
What is the InChIKey of N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is NPWHLDHJXHKRRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N7O/c1-14(2)17-9-10-19(24-22-17)26-11-5-8-16(12-26)27-13-18(23-25-27)20(28)21-15-6-3-4-7-15/h9-10,13-16H,3-8,11-12H2,1-2H3,(H,21,28)/t16-/m1/s1.
What are the key properties of N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide?
N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 95219826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).