1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone

C17H20N2O3 — CID 154870837

IUPAC1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2oc3ccccc3c2C)[C@H](C)C1
InChIInChI=1S/C17H20N2O3/c1-11-10-18(13(3)20)8-9-19(11)17(21)16-12(2)14-6-4-5-7-15(14)22-16/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyXLHHNWLTPSIMPA-LLVKDONJSA-N
MW300.36 g/mol
LogP2.43
Rot. Bonds1

About 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone

1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 154870837) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID154870837
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2oc3ccccc3c2C)[C@H](C)C1
InChIInChI=1S/C17H20N2O3/c1-11-10-18(13(3)20)8-9-19(11)17(21)16-12(2)14-6-4-5-7-15(14)22-16/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyXLHHNWLTPSIMPA-LLVKDONJSA-N
XLogP2.43
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone (CID 154870837) is 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2oc3ccccc3c2C)[C@H](C)C1.
What is the InChIKey of 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is XLHHNWLTPSIMPA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-10-18(13(3)20)8-9-19(11)17(21)16-12(2)14-6-4-5-7-15(14)22-16/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone?
1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154870837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).