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

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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).