4-(4-acetylpiperazine-1-carbonyl)benzoic acid

C14H16N2O4 — CID 2050536

IUPAC4-(4-acetylpiperazine-1-carbonyl)benzoic acid
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H16N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(5-3-11)14(19)20/h2-5H,6-9H2,1H3,(H,19,20)
InChIKeyIICPRQBYFUNFIR-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.69
Rot. Bonds2

About 4-(4-acetylpiperazine-1-carbonyl)benzoic acid

4-(4-acetylpiperazine-1-carbonyl)benzoic acid (PubChem CID 2050536) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)benzoic acid
PubChem CID2050536
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)benzoic acid
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H16N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(5-3-11)14(19)20/h2-5H,6-9H2,1H3,(H,19,20)
InChIKeyIICPRQBYFUNFIR-UHFFFAOYSA-N
XLogP0.69
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-acetylpiperazine-1-carbonyl)benzoic 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 4-(4-acetylpiperazine-1-carbonyl)benzoic acid?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)benzoic acid (CID 2050536) is 4-(4-acetylpiperazine-1-carbonyl)benzoic acid.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)benzoic acid?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)benzoic acid is CC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)benzoic acid?
The InChIKey is IICPRQBYFUNFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(5-3-11)14(19)20/h2-5H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)benzoic acid?
4-(4-acetylpiperazine-1-carbonyl)benzoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)benzoic acid is sourced from PubChem (CID 2050536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).