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

C14H18N2O2 — CID 66360874

IUPAC1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one
SMILESCc1ccc2c(c1)CC(CN1CCNCC1=O)O2
InChIInChI=1S/C14H18N2O2/c1-10-2-3-13-11(6-10)7-12(18-13)9-16-5-4-15-8-14(16)17/h2-3,6,12,15H,4-5,7-9H2,1H3
InChIKeyPLWGPSQSZNKYBO-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.73
Rot. Bonds2

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

1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one (PubChem CID 66360874) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one
PubChem CID66360874
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one
SMILESCc1ccc2c(c1)CC(CN1CCNCC1=O)O2
InChIInChI=1S/C14H18N2O2/c1-10-2-3-13-11(6-10)7-12(18-13)9-16-5-4-15-8-14(16)17/h2-3,6,12,15H,4-5,7-9H2,1H3
InChIKeyPLWGPSQSZNKYBO-UHFFFAOYSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one?
The IUPAC name of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one (CID 66360874) is 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one is Cc1ccc2c(c1)CC(CN1CCNCC1=O)O2.
What is the InChIKey of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one?
The InChIKey is PLWGPSQSZNKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-2-3-13-11(6-10)7-12(18-13)9-16-5-4-15-8-14(16)17/h2-3,6,12,15H,4-5,7-9H2,1H3.
What are the key properties of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one?
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 66360874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).