1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide

C21H29N5O — CID 91774810

IUPAC1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1-n1cncn1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H29N5O/c27-20(21(11-5-1-6-12-21)25-13-7-2-8-14-25)23-15-18-9-3-4-10-19(18)26-17-22-16-24-26/h3-4,9-10,16-17H,1-2,5-8,11-15H2,(H,23,27)
InChIKeyDUCYKPOMOULNPF-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.07
Rot. Bonds5

About 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide

1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 91774810) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID91774810
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1-n1cncn1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H29N5O/c27-20(21(11-5-1-6-12-21)25-13-7-2-8-14-25)23-15-18-9-3-4-10-19(18)26-17-22-16-24-26/h3-4,9-10,16-17H,1-2,5-8,11-15H2,(H,23,27)
InChIKeyDUCYKPOMOULNPF-UHFFFAOYSA-N
XLogP3.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 91779228
N'-cyclopentyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]butanediamide
CID 46995343
3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56756653
N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131897762
1-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866385
1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119846749
2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 72882431
3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 121496221
N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 131912090
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 91783113

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide (CID 91774810) is 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide is O=C(NCc1ccccc1-n1cncn1)C1(N2CCCCC2)CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is DUCYKPOMOULNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c27-20(21(11-5-1-6-12-21)25-13-7-2-8-14-25)23-15-18-9-3-4-10-19(18)26-17-22-16-24-26/h3-4,9-10,16-17H,1-2,5-8,11-15H2,(H,23,27).
What are the key properties of 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide?
1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91774810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).