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

C16H27N5O — CID 91779228

IUPAC1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCn1cncn1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C16H27N5O/c22-15(18-9-12-21-14-17-13-19-21)16(7-3-1-4-8-16)20-10-5-2-6-11-20/h13-14H,1-12H2,(H,18,22)
InChIKeyTZRPWTOMKVNTGU-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.58
Rot. Bonds5

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

1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 91779228) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID91779228
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCn1cncn1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C16H27N5O/c22-15(18-9-12-21-14-17-13-19-21)16(7-3-1-4-8-16)20-10-5-2-6-11-20/h13-14H,1-12H2,(H,18,22)
InChIKeyTZRPWTOMKVNTGU-UHFFFAOYSA-N
XLogP1.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 91774810
N-[3-(1,2,4-triazol-1-yl)propyl]azepane-1-carboxamide
CID 53498860
N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 119114636
1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 92572434
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131914638
N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122560463
(2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 165344245
tert-butyl N-[2-(1,2,4-triazol-1-yl)ethyl]carbamate
CID 130752729
4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide
CID 136563304
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 135990316
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 90653038

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide (CID 91779228) is 1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide is O=C(NCCn1cncn1)C1(N2CCCCC2)CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is TZRPWTOMKVNTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c22-15(18-9-12-21-14-17-13-19-21)16(7-3-1-4-8-16)20-10-5-2-6-11-20/h13-14H,1-12H2,(H,18,22).
What are the key properties of 1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide?
1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.58, 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)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91779228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).