3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one

C14H18N2O2 — CID 82384390

IUPAC3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one
SMILESCC1Cc2cccc(C3CNC(=O)C(C)N3)c2O1
InChIInChI=1S/C14H18N2O2/c1-8-6-10-4-3-5-11(13(10)18-8)12-7-15-14(17)9(2)16-12/h3-5,8-9,12,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyVJFMDFMMBFABMU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.16
Rot. Bonds1

About 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one

3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one (PubChem CID 82384390) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one
PubChem CID82384390
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one
SMILESCC1Cc2cccc(C3CNC(=O)C(C)N3)c2O1
InChIInChI=1S/C14H18N2O2/c1-8-6-10-4-3-5-11(13(10)18-8)12-7-15-14(17)9(2)16-12/h3-5,8-9,12,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyVJFMDFMMBFABMU-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-(4H-1,3-benzodioxin-8-yl)-3-methylpiperazin-2-one
CID 82383520
(3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one
CID 82408542
3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one
CID 82402149
4-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-tetrazol-5-one
CID 135731679
2-methyl-7-(2-nitroethenyl)-2,3-dihydro-1-benzofuran
CID 2984991
(2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran
CID 7377834
7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 143159059
(3S)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 10921069
7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108323
5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one
CID 82383297
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108804
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one?
The IUPAC name of 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one (CID 82384390) is 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one.
What is the SMILES notation for 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one?
The canonical SMILES for 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one is CC1Cc2cccc(C3CNC(=O)C(C)N3)c2O1.
What is the InChIKey of 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one?
The InChIKey is VJFMDFMMBFABMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-6-10-4-3-5-11(13(10)18-8)12-7-15-14(17)9(2)16-12/h3-5,8-9,12,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one?
3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)piperazin-2-one is sourced from PubChem (CID 82384390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).