4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one

C23H22N2O3 — CID 70783427

IUPAC4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)[C@H](O)c3ccc4ccccc4c3)CC2=O)cc1
InChIInChI=1S/C23H22N2O3/c1-16-6-10-20(11-7-16)25-13-12-24(15-21(25)26)23(28)22(27)19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14,22,27H,12-13,15H2,1H3/t22-/m1/s1
InChIKeyXPGOOLPDHNSWCS-JOCHJYFZSA-N
MW374.44 g/mol
LogP3.06
Rot. Bonds3

About 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one

4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70783427) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one
PubChem CID70783427
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)[C@H](O)c3ccc4ccccc4c3)CC2=O)cc1
InChIInChI=1S/C23H22N2O3/c1-16-6-10-20(11-7-16)25-13-12-24(15-21(25)26)23(28)22(27)19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14,22,27H,12-13,15H2,1H3/t22-/m1/s1
InChIKeyXPGOOLPDHNSWCS-JOCHJYFZSA-N
XLogP3.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)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-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one (CID 70783427) is 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccc4ccccc4c3)CC2=O)cc1.
What is the InChIKey of 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is XPGOOLPDHNSWCS-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-6-10-20(11-7-16)25-13-12-24(15-21(25)26)23(28)22(27)19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14,22,27H,12-13,15H2,1H3/t22-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one?
4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70783427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).