2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone

C22H23N3O2 — CID 148807592

IUPAC2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone
SMILESNc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C22H23N3O2/c23-20-8-5-17(22-2-1-13-27-22)14-18(20)15-21(26)16-3-6-19(7-4-16)25-11-9-24-10-12-25/h1-8,13-14,24H,9-12,15,23H2
InChIKeyOPGSLOKAZHGMTP-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.36
Rot. Bonds5

About 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone

2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone (PubChem CID 148807592) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone
PubChem CID148807592
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone
SMILESNc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C22H23N3O2/c23-20-8-5-17(22-2-1-13-27-22)14-18(20)15-21(26)16-3-6-19(7-4-16)25-11-9-24-10-12-25/h1-8,13-14,24H,9-12,15,23H2
InChIKeyOPGSLOKAZHGMTP-UHFFFAOYSA-N
XLogP3.36
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone 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 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone?
The IUPAC name of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone (CID 148807592) is 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone.
What is the SMILES notation for 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone?
The canonical SMILES for 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone is Nc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone?
The InChIKey is OPGSLOKAZHGMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-20-8-5-17(22-2-1-13-27-22)14-18(20)15-21(26)16-3-6-19(7-4-16)25-11-9-24-10-12-25/h1-8,13-14,24H,9-12,15,23H2.
What are the key properties of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone?
2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone has a molecular weight of 361.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone is sourced from PubChem (CID 148807592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).