4-(furan-2-carbonyl)piperazine-1-carboxamide

C10H13N3O3 — CID 762331

IUPAC4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)
InChIKeyTWRIXENNPDTMSQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.12
Rot. Bonds1

About 4-(furan-2-carbonyl)piperazine-1-carboxamide

4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 762331) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID762331
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)
InChIKeyTWRIXENNPDTMSQ-UHFFFAOYSA-N
XLogP0.12
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(furan-2-carbonyl)piperazine-1-carboxamide 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-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 762331) is 4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)piperazine-1-carboxamide is NC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is TWRIXENNPDTMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15).
What are the key properties of 4-(furan-2-carbonyl)piperazine-1-carboxamide?
4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 223.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 762331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).