3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one

C21H26N2O3 — CID 70710666

IUPAC3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one
SMILESCc1ccc(-c2cccc(C(=O)N3CCN(CC(C)C)C(=O)C3C)c2)o1
InChIInChI=1S/C21H26N2O3/c1-14(2)13-22-10-11-23(16(4)20(22)24)21(25)18-7-5-6-17(12-18)19-9-8-15(3)26-19/h5-9,12,14,16H,10-11,13H2,1-4H3
InChIKeyDPUDZAGJSWGULO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.58
Rot. Bonds4

About 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one

3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one (PubChem CID 70710666) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one
PubChem CID70710666
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one
SMILESCc1ccc(-c2cccc(C(=O)N3CCN(CC(C)C)C(=O)C3C)c2)o1
InChIInChI=1S/C21H26N2O3/c1-14(2)13-22-10-11-23(16(4)20(22)24)21(25)18-7-5-6-17(12-18)19-9-8-15(3)26-19/h5-9,12,14,16H,10-11,13H2,1-4H3
InChIKeyDPUDZAGJSWGULO-UHFFFAOYSA-N
XLogP3.58
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-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-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70718977
[3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70744122
4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 91784309
3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one
CID 139009969
4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 139009579
3-methyl-4-[2-[2-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethoxy]acetyl]-1-(2-methylpropyl)piperazin-2-one
CID 166226447
N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide
CID 110741190
2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one
CID 121354882
2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861143
4-fluoro-3-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 70716405
(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one
CID 93323612
3-methyl-1-[(3-methylphenyl)methyl]-4-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]piperazin-2-one
CID 46998864

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one (CID 70710666) is 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one is Cc1ccc(-c2cccc(C(=O)N3CCN(CC(C)C)C(=O)C3C)c2)o1.
What is the InChIKey of 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is DPUDZAGJSWGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)13-22-10-11-23(16(4)20(22)24)21(25)18-7-5-6-17(12-18)19-9-8-15(3)26-19/h5-9,12,14,16H,10-11,13H2,1-4H3.
What are the key properties of 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one?
3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 354.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(5-methylfuran-2-yl)benzoyl]-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 70710666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).