N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide

C20H28N6O — CID 118756520

IUPACN-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCc1cccc(CN2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)n1
InChIInChI=1S/C20H28N6O/c1-15-5-4-8-17(21-15)13-25-11-9-18(10-12-25)26-14-19(23-24-26)20(27)22-16-6-2-3-7-16/h4-5,8,14,16,18H,2-3,6-7,9-13H2,1H3,(H,22,27)
InChIKeyZCGHIROKPLYXRL-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.49
Rot. Bonds5

About N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide

N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 118756520) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID118756520
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCc1cccc(CN2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)n1
InChIInChI=1S/C20H28N6O/c1-15-5-4-8-17(21-15)13-25-11-9-18(10-12-25)26-14-19(23-24-26)20(27)22-16-6-2-3-7-16/h4-5,8,14,16,18H,2-3,6-7,9-13H2,1H3,(H,22,27)
InChIKeyZCGHIROKPLYXRL-UHFFFAOYSA-N
XLogP2.49
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42432934
N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide
CID 56712352
N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42419244
N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26347462
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56711997
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
CID 26319284
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
N-cyclopentyl-1-[(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26332983

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide (CID 118756520) is N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide is Cc1cccc(CN2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)n1.
What is the InChIKey of N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is ZCGHIROKPLYXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-5-4-8-17(21-15)13-25-11-9-18(10-12-25)26-14-19(23-24-26)20(27)22-16-6-2-3-7-16/h4-5,8,14,16,18H,2-3,6-7,9-13H2,1H3,(H,22,27).
What are the key properties of N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 118756520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).