3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one

C21H27N5O2 — CID 45246636

IUPAC3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cn(CC3CCCCC3)nn2)C1Cc1ccccc1
InChIInChI=1S/C21H27N5O2/c27-20-19(13-16-7-3-1-4-8-16)26(12-11-22-20)21(28)18-15-25(24-23-18)14-17-9-5-2-6-10-17/h1,3-4,7-8,15,17,19H,2,5-6,9-14H2,(H,22,27)
InChIKeyLPJNSPFDFSTFPC-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.04
Rot. Bonds5

About 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one

3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one (PubChem CID 45246636) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one
PubChem CID45246636
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cn(CC3CCCCC3)nn2)C1Cc1ccccc1
InChIInChI=1S/C21H27N5O2/c27-20-19(13-16-7-3-1-4-8-16)26(12-11-22-20)21(28)18-15-25(24-23-18)14-17-9-5-2-6-10-17/h1,3-4,7-8,15,17,19H,2,5-6,9-14H2,(H,22,27)
InChIKeyLPJNSPFDFSTFPC-UHFFFAOYSA-N
XLogP2.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one 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

3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one
CID 45241729
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 122120035
(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 29084883
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 24791999
(3S)-3-benzyl-4-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 42556990
(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 97455455
2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 72933841
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one?
The IUPAC name of 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one (CID 45246636) is 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one?
The canonical SMILES for 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one is O=C1NCCN(C(=O)c2cn(CC3CCCCC3)nn2)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one?
The InChIKey is LPJNSPFDFSTFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-20-19(13-16-7-3-1-4-8-16)26(12-11-22-20)21(28)18-15-25(24-23-18)14-17-9-5-2-6-10-17/h1,3-4,7-8,15,17,19H,2,5-6,9-14H2,(H,22,27).
What are the key properties of 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one?
3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one has a molecular weight of 381.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 45246636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).