2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C14H22N2O4 — CID 64679856

IUPAC2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1=O
InChIInChI=1S/C14H22N2O4/c1-15-6-7-16(10-12(15)18)11(17)8-14(9-13(19)20)4-2-3-5-14/h2-10H2,1H3,(H,19,20)
InChIKeyURFWWFONYSIXBQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.71
Rot. Bonds4

About 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 64679856) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID64679856
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1=O
InChIInChI=1S/C14H22N2O4/c1-15-6-7-16(10-12(15)18)11(17)8-14(9-13(19)20)4-2-3-5-14/h2-10H2,1H3,(H,19,20)
InChIKeyURFWWFONYSIXBQ-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]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-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 64679856) is 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is CN1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1=O.
What is the InChIKey of 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is URFWWFONYSIXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-15-6-7-16(10-12(15)18)11(17)8-14(9-13(19)20)4-2-3-5-14/h2-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 64679856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).