1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide

C22H30N6O2 — CID 166428131

IUPAC1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(NC(=O)c3cn(C4CCCCC4)nn3)CC2)cc1
InChIInChI=1S/C22H30N6O2/c1-23-21(29)16-7-9-18(10-8-16)27-13-11-17(12-14-27)24-22(30)20-15-28(26-25-20)19-5-3-2-4-6-19/h7-10,15,17,19H,2-6,11-14H2,1H3,(H,23,29)(H,24,30)
InChIKeyJHOKRIBLMSHPBX-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.54
Rot. Bonds5

About 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide

1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 166428131) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID166428131
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(NC(=O)c3cn(C4CCCCC4)nn3)CC2)cc1
InChIInChI=1S/C22H30N6O2/c1-23-21(29)16-7-9-18(10-8-16)27-13-11-17(12-14-27)24-22(30)20-15-28(26-25-20)19-5-3-2-4-6-19/h7-10,15,17,19H,2-6,11-14H2,1H3,(H,23,29)(H,24,30)
InChIKeyJHOKRIBLMSHPBX-UHFFFAOYSA-N
XLogP2.54
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide
CID 56712352
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 68514420
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide
CID 95219826
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide (CID 166428131) is 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide is CNC(=O)c1ccc(N2CCC(NC(=O)c3cn(C4CCCCC4)nn3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is JHOKRIBLMSHPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-23-21(29)16-7-9-18(10-8-16)27-13-11-17(12-14-27)24-22(30)20-15-28(26-25-20)19-5-3-2-4-6-19/h7-10,15,17,19H,2-6,11-14H2,1H3,(H,23,29)(H,24,30).
What are the key properties of 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide?
1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-[4-(methylcarbamoyl)phenyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 166428131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).