4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one

C19H22N2O3 — CID 124607399

IUPAC4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCCc1ccc(-c2ccc(C(=O)N3CCNC(=O)C3(C)C)o2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-13-5-7-14(8-6-13)15-9-10-16(24-15)17(22)21-12-11-20-18(23)19(21,2)3/h5-10H,4,11-12H2,1-3H3,(H,20,23)
InChIKeyOHDQYWLNSIFYNF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.86
Rot. Bonds3

About 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one

4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 124607399) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID124607399
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCCc1ccc(-c2ccc(C(=O)N3CCNC(=O)C3(C)C)o2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-13-5-7-14(8-6-13)15-9-10-16(24-15)17(22)21-12-11-20-18(23)19(21,2)3/h5-10H,4,11-12H2,1-3H3,(H,20,23)
InChIKeyOHDQYWLNSIFYNF-UHFFFAOYSA-N
XLogP2.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one 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

4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63606357
4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63608438
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 126809780
1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256824
3,3-dimethyl-4-(5-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 63608278
[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997190
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 63723394
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073806
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one (CID 124607399) is 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one is CCc1ccc(-c2ccc(C(=O)N3CCNC(=O)C3(C)C)o2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is OHDQYWLNSIFYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-13-5-7-14(8-6-13)15-9-10-16(24-15)17(22)21-12-11-20-18(23)19(21,2)3/h5-10H,4,11-12H2,1-3H3,(H,20,23).
What are the key properties of 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one?
4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 124607399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).