2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

C12H19N3O4 — CID 60953640

IUPAC2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)N1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H19N3O4/c1-2-13-12(19)15-5-3-14(4-6-15)10(16)8-7-9(8)11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyJZVIYXLQCVZWGF-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.42
Rot. Bonds3

About 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 60953640) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID60953640
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)N1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H19N3O4/c1-2-13-12(19)15-5-3-14(4-6-15)10(16)8-7-9(8)11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyJZVIYXLQCVZWGF-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-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

N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 79389325
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822
4-(2-aminocyclohexanecarbonyl)-N-ethylpiperazine-1-carboxamide
CID 64825150
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511249
cis-(1S,2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377074
cis-(1S,2R)-2-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93379447
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 60953640) is 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is CCNC(=O)N1CCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is JZVIYXLQCVZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-13-12(19)15-5-3-14(4-6-15)10(16)8-7-9(8)11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60953640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).