2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid

C15H24N2O4 — CID 114511249

IUPAC2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C15H24N2O4/c1-3-11-8-12(13(9-11)15(20)21)14(19)17-6-4-16(5-7-17)10(2)18/h11-13H,3-9H2,1-2H3,(H,20,21)
InChIKeyCTXWWHLSBJVGQW-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.81
Rot. Bonds3

About 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid

2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511249) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511249
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C15H24N2O4/c1-3-11-8-12(13(9-11)15(20)21)14(19)17-6-4-16(5-7-17)10(2)18/h11-13H,3-9H2,1-2H3,(H,20,21)
InChIKeyCTXWWHLSBJVGQW-UHFFFAOYSA-N
XLogP0.81
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511446
2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511965
4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114511814
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60953640
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
4-ethyl-2-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511445
cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 114093135
cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93378488

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid (CID 114511249) is 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N2CCN(C(C)=O)CC2)C1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is CTXWWHLSBJVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-11-8-12(13(9-11)15(20)21)14(19)17-6-4-16(5-7-17)10(2)18/h11-13H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).