4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

C12H19N3O3 — CID 83020303

IUPAC4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)NN1CCCCC1
InChIInChI=1S/C12H19N3O3/c16-11(17)9-4-5-10(8-9)13-12(18)14-15-6-2-1-3-7-15/h4-5,9-10H,1-3,6-8H2,(H,16,17)(H2,13,14,18)
InChIKeyZFWXAMYZMYYGHM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.72
Rot. Bonds3

About 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 83020303) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID83020303
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)NN1CCCCC1
InChIInChI=1S/C12H19N3O3/c16-11(17)9-4-5-10(8-9)13-12(18)14-15-6-2-1-3-7-15/h4-5,9-10H,1-3,6-8H2,(H,16,17)(H2,13,14,18)
InChIKeyZFWXAMYZMYYGHM-UHFFFAOYSA-N
XLogP0.72
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-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

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 83020303) is 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)NN1CCCCC1.
What is the InChIKey of 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ZFWXAMYZMYYGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-11(17)9-4-5-10(8-9)13-12(18)14-15-6-2-1-3-7-15/h4-5,9-10H,1-3,6-8H2,(H,16,17)(H2,13,14,18).
What are the key properties of 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 83020303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).