4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one

C15H18N2O3 — CID 63744029

IUPAC4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H18N2O3/c1-15(2)14(19)16-5-6-17(15)13(18)10-3-4-11-8-20-9-12(11)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyXLCQMDXJSKRPLM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.07
Rot. Bonds1

About 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one

4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63744029) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID63744029
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H18N2O3/c1-15(2)14(19)16-5-6-17(15)13(18)10-3-4-11-8-20-9-12(11)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyXLCQMDXJSKRPLM-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one (CID 63744029) is 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is XLCQMDXJSKRPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)14(19)16-5-6-17(15)13(18)10-3-4-11-8-20-9-12(11)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,19).
What are the key properties of 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63744029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).