3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one

C21H20N2O3 — CID 74236865

IUPAC3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
SMILESCc1cc2cccc(C(=O)N3CCNC(=O)C3Cc3ccccc3)c2o1
InChIInChI=1S/C21H20N2O3/c1-14-12-16-8-5-9-17(19(16)26-14)21(25)23-11-10-22-20(24)18(23)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13H2,1H3,(H,22,24)
InChIKeyLGSZHVCGNGAWSB-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.92
Rot. Bonds3

About 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one

3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one (PubChem CID 74236865) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
PubChem CID74236865
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
SMILESCc1cc2cccc(C(=O)N3CCNC(=O)C3Cc3ccccc3)c2o1
InChIInChI=1S/C21H20N2O3/c1-14-12-16-8-5-9-17(19(16)26-14)21(25)23-11-10-22-20(24)18(23)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13H2,1H3,(H,22,24)
InChIKeyLGSZHVCGNGAWSB-UHFFFAOYSA-N
XLogP2.92
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one
CID 45229030
3-benzyl-4-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)-1,4-diazepan-2-one
CID 138004597
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
CID 99936115
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
(3S)-3-benzyl-4-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 42556990

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one?
The IUPAC name of 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one (CID 74236865) is 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one?
The canonical SMILES for 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one is Cc1cc2cccc(C(=O)N3CCNC(=O)C3Cc3ccccc3)c2o1.
What is the InChIKey of 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one?
The InChIKey is LGSZHVCGNGAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-12-16-8-5-9-17(19(16)26-14)21(25)23-11-10-22-20(24)18(23)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13H2,1H3,(H,22,24).
What are the key properties of 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one?
3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one has a molecular weight of 348.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one is sourced from PubChem (CID 74236865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).