1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide

C17H27N5O — CID 26355434

IUPAC1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C17H27N5O/c23-17(18-13-6-7-13)16-12-22(20-19-16)15-8-10-21(11-9-15)14-4-2-1-3-5-14/h12-15H,1-11H2,(H,18,23)
InChIKeyKBQXJSJNKPCFKT-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.14
Rot. Bonds4

About 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide

1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide (PubChem CID 26355434) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
PubChem CID26355434
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C17H27N5O/c23-17(18-13-6-7-13)16-12-22(20-19-16)15-8-10-21(11-9-15)14-4-2-1-3-5-14/h12-15H,1-11H2,(H,18,23)
InChIKeyKBQXJSJNKPCFKT-UHFFFAOYSA-N
XLogP2.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide
CID 56712352
1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide
CID 166428131
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide
CID 56703669
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
N-cyclopropyl-1-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56708665
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
CID 26319284

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide (CID 26355434) is 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide is O=C(NC1CC1)c1cn(C2CCN(C3CCCCC3)CC2)nn1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide?
The InChIKey is KBQXJSJNKPCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17(18-13-6-7-13)16-12-22(20-19-16)15-8-10-21(11-9-15)14-4-2-1-3-5-14/h12-15H,1-11H2,(H,18,23).
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide?
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide is sourced from PubChem (CID 26355434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).