1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide

C26H31N3O3 — CID 18338631

IUPAC1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1C(=O)NC(CCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C26H31N3O3/c30-24(27-21-14-8-3-9-15-21)23-25(31)28-22(17-16-19-10-4-1-5-11-19)26(32)29(23)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2,(H,27,30)(H,28,31)
InChIKeyGRPLWBQSOJLJIY-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.96
Rot. Bonds7

About 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide

1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 18338631) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID18338631
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1C(=O)NC(CCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C26H31N3O3/c30-24(27-21-14-8-3-9-15-21)23-25(31)28-22(17-16-19-10-4-1-5-11-19)26(32)29(23)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2,(H,27,30)(H,28,31)
InChIKeyGRPLWBQSOJLJIY-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-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

5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide
CID 71162206
5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide
CID 90901292
N-cyclohexyl-1-(cyclohexylmethyl)-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazine-2-carboxamide
CID 18338837
4-benzyl-N-cyclohexyl-5-oxo-2-phenyl-3H-1,4-benzodiazepine-3-carboxamide
CID 25257301
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide
CID 71162311
5-benzyl-8-chloro-N-cycloheptyl-6-oxo-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide
CID 11202049
5-benzyl-9-chloro-N-cycloheptyl-6-oxo-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide
CID 20886280
2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide
CID 15426216
(1R,2S,5S,6R,7R)-3-benzyl-2-N,6-N-dicyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 98110824
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide (CID 18338631) is 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide is O=C(NC1CCCCC1)C1C(=O)NC(CCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is GRPLWBQSOJLJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c30-24(27-21-14-8-3-9-15-21)23-25(31)28-22(17-16-19-10-4-1-5-11-19)26(32)29(23)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2,(H,27,30)(H,28,31).
What are the key properties of 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide?
1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 18338631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).