4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one

C19H26N2O3 — CID 3337962

IUPAC4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one
SMILESO=C(C1CCCCC1)N1CC(=O)N(CCc2ccccc2)C(O)C1
InChIInChI=1S/C19H26N2O3/c22-17-13-20(19(24)16-9-5-2-6-10-16)14-18(23)21(17)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,22H,2,5-6,9-14H2
InChIKeyURWGVJCAPYTBRW-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.80
Rot. Bonds4

About 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one

4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one (PubChem CID 3337962) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one
PubChem CID3337962
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one
SMILESO=C(C1CCCCC1)N1CC(=O)N(CCc2ccccc2)C(O)C1
InChIInChI=1S/C19H26N2O3/c22-17-13-20(19(24)16-9-5-2-6-10-16)14-18(23)21(17)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,22H,2,5-6,9-14H2
InChIKeyURWGVJCAPYTBRW-UHFFFAOYSA-N
XLogP1.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one (CID 3337962) is 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one is O=C(C1CCCCC1)N1CC(=O)N(CCc2ccccc2)C(O)C1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one?
The InChIKey is URWGVJCAPYTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-17-13-20(19(24)16-9-5-2-6-10-16)14-18(23)21(17)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,22H,2,5-6,9-14H2.
What are the key properties of 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one?
4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 3337962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).