1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one

C18H17ClN2O3 — CID 70774703

IUPAC1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one
SMILESO=C([C@H](O)c1ccccc1)N1CCN(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C18H17ClN2O3/c19-14-7-4-8-15(11-14)21-10-9-20(12-16(21)22)18(24)17(23)13-5-2-1-3-6-13/h1-8,11,17,23H,9-10,12H2/t17-/m1/s1
InChIKeyPFTKJEJXVORSSP-QGZVFWFLSA-N
MW344.80 g/mol
LogP2.25
Rot. Bonds3

About 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one

1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one (PubChem CID 70774703) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one
PubChem CID70774703
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one
SMILESO=C([C@H](O)c1ccccc1)N1CCN(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C18H17ClN2O3/c19-14-7-4-8-15(11-14)21-10-9-20(12-16(21)22)18(24)17(23)13-5-2-1-3-6-13/h1-8,11,17,23H,9-10,12H2/t17-/m1/s1
InChIKeyPFTKJEJXVORSSP-QGZVFWFLSA-N
XLogP2.25
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]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 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one (CID 70774703) is 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one is O=C([C@H](O)c1ccccc1)N1CCN(c2cccc(Cl)c2)C(=O)C1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one?
The InChIKey is PFTKJEJXVORSSP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-14-7-4-8-15(11-14)21-10-9-20(12-16(21)22)18(24)17(23)13-5-2-1-3-6-13/h1-8,11,17,23H,9-10,12H2/t17-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one?
1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one has a molecular weight of 344.80 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-2-one is sourced from PubChem (CID 70774703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).