5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one

C15H20N2O2 — CID 124673303

IUPAC5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
SMILESC[C@@H]1CNCCN1CCc1ccc2c(c1)COC2=O
InChIInChI=1S/C15H20N2O2/c1-11-9-16-5-7-17(11)6-4-12-2-3-14-13(8-12)10-19-15(14)18/h2-3,8,11,16H,4-7,9-10H2,1H3/t11-/m1/s1
InChIKeyOXHOZFBBBIFRBU-LLVKDONJSA-N
MW260.34 g/mol
LogP1.19
Rot. Bonds3

About 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one

5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one (PubChem CID 124673303) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
PubChem CID124673303
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
SMILESC[C@@H]1CNCCN1CCc1ccc2c(c1)COC2=O
InChIInChI=1S/C15H20N2O2/c1-11-9-16-5-7-17(11)6-4-12-2-3-14-13(8-12)10-19-15(14)18/h2-3,8,11,16H,4-7,9-10H2,1H3/t11-/m1/s1
InChIKeyOXHOZFBBBIFRBU-LLVKDONJSA-N
XLogP1.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 123428472
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1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine
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1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
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1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
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(2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine
CID 170459835
2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137078251
1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine
CID 82077738
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(3R)-3-methyl-6-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one
CID 124925289
5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408735

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one (CID 124673303) is 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one is C[C@@H]1CNCCN1CCc1ccc2c(c1)COC2=O.
What is the InChIKey of 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one?
The InChIKey is OXHOZFBBBIFRBU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-9-16-5-7-17(11)6-4-12-2-3-14-13(8-12)10-19-15(14)18/h2-3,8,11,16H,4-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one?
5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 124673303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).