5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid

C12H20N2O5 — CID 7357795

IUPAC5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
SMILESCCOC(=O)N1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-2-19-12(18)14-8-6-13(7-9-14)10(15)4-3-5-11(16)17/h2-9H2,1H3,(H,16,17)
InChIKeySMQIQGLUGXMWQT-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.54
Rot. Bonds5

About 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid

5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid (PubChem CID 7357795) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
PubChem CID7357795
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
SMILESCCOC(=O)N1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-2-19-12(18)14-8-6-13(7-9-14)10(15)4-3-5-11(16)17/h2-9H2,1H3,(H,16,17)
InChIKeySMQIQGLUGXMWQT-UHFFFAOYSA-N
XLogP0.54
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic 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 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid (CID 7357795) is 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid is CCOC(=O)N1CCN(C(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid?
The InChIKey is SMQIQGLUGXMWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-2-19-12(18)14-8-6-13(7-9-14)10(15)4-3-5-11(16)17/h2-9H2,1H3,(H,16,17).
What are the key properties of 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid?
5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 7357795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).