3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid

C14H23N3O3 — CID 61193724

IUPAC3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESC=CCN(CC=C)C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H23N3O3/c1-3-6-16(7-4-2)14(20)17-11-9-15(10-12-17)8-5-13(18)19/h3-4H,1-2,5-12H2,(H,18,19)
InChIKeyOYTTYDGRKNDIEV-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.87
Rot. Bonds7

About 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid

3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 61193724) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID61193724
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESC=CCN(CC=C)C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H23N3O3/c1-3-6-16(7-4-2)14(20)17-11-9-15(10-12-17)8-5-13(18)19/h3-4H,1-2,5-12H2,(H,18,19)
InChIKeyOYTTYDGRKNDIEV-UHFFFAOYSA-N
XLogP0.87
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic 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 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 61193724) is 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid is C=CCN(CC=C)C(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is OYTTYDGRKNDIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-6-16(7-4-2)14(20)17-11-9-15(10-12-17)8-5-13(18)19/h3-4H,1-2,5-12H2,(H,18,19).
What are the key properties of 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid?
3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 281.36 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis(prop-2-enyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 61193724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).