2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid

C18H18N2O3 — CID 576518

IUPAC2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)CNC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-15-11-19-17(13-7-3-1-4-8-13)18(20(15)12-16(22)23)14-9-5-2-6-10-14/h1-10,17-19H,11-12H2,(H,22,23)
InChIKeyHFHGYIWJOZTNJU-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.99
Rot. Bonds4

About 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid

2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid (PubChem CID 576518) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid
PubChem CID576518
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)CNC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-15-11-19-17(13-7-3-1-4-8-13)18(20(15)12-16(22)23)14-9-5-2-6-10-14/h1-10,17-19H,11-12H2,(H,22,23)
InChIKeyHFHGYIWJOZTNJU-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid 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

2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
CID 10847476
2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid
CID 14618020
3-(cyclopropylmethyl)-2-phenylimidazolidin-4-one
CID 83250909
(5S,6R)-5,6-diphenylpiperazin-2-one
CID 53393309
2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid
CID 24828116
4,5-diphenyl-1-prop-2-enylimidazolidin-2-one
CID 67652327
3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one
CID 107416096
1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 102549060
2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
CID 59370448
2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid
CID 163946363
2-(1,4-dioxo-3-phenyl-3H-isoquinolin-2-yl)acetic acid
CID 82667689
(4S,5S,14S,15S,24S,25S)-4,5,14,15,24,25-hexakis-phenyl-3,6,13,16,23,26-hexazatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene
CID 101169433

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid (CID 576518) is 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid is O=C(O)CN1C(=O)CNC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid?
The InChIKey is HFHGYIWJOZTNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-15-11-19-17(13-7-3-1-4-8-13)18(20(15)12-16(22)23)14-9-5-2-6-10-14/h1-10,17-19H,11-12H2,(H,22,23).
What are the key properties of 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid?
2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid has a molecular weight of 310.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 576518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).