2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid

C15H18N2O3 — CID 117438268

IUPAC2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(N3CCNC(=O)C3)cc2)CC1
InChIInChI=1S/C15H18N2O3/c18-13-10-17(8-7-16-13)12-3-1-11(2-4-12)15(5-6-15)9-14(19)20/h1-4H,5-10H2,(H,16,18)(H,19,20)
InChIKeyVBFUKYZRRHWLMS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.13
Rot. Bonds4

About 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid

2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid (PubChem CID 117438268) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid
PubChem CID117438268
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(N3CCNC(=O)C3)cc2)CC1
InChIInChI=1S/C15H18N2O3/c18-13-10-17(8-7-16-13)12-3-1-11(2-4-12)15(5-6-15)9-14(19)20/h1-4H,5-10H2,(H,16,18)(H,19,20)
InChIKeyVBFUKYZRRHWLMS-UHFFFAOYSA-N
XLogP1.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid (CID 117438268) is 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2ccc(N3CCNC(=O)C3)cc2)CC1.
What is the InChIKey of 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid?
The InChIKey is VBFUKYZRRHWLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13-10-17(8-7-16-13)12-3-1-11(2-4-12)15(5-6-15)9-14(19)20/h1-4H,5-10H2,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid?
2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117438268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).