1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone

C15H20N2O2 — CID 65463334

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20N2O2/c1-15(2)10-16-5-6-17(15)14(18)11-3-4-12-8-19-9-13(12)7-11/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeyNUMOHSLSJHBGED-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.54
Rot. Bonds1

About 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone

1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 65463334) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID65463334
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20N2O2/c1-15(2)10-16-5-6-17(15)14(18)11-3-4-12-8-19-9-13(12)7-11/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeyNUMOHSLSJHBGED-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone (CID 65463334) is 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is NUMOHSLSJHBGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)10-16-5-6-17(15)14(18)11-3-4-12-8-19-9-13(12)7-11/h3-4,7,16H,5-6,8-10H2,1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone?
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 65463334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).