3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one

C17H24N2O3 — CID 972346

IUPAC3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CCN(C)CC2)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H24N2O3/c1-11-14-12(20)9-17(2,3)10-13(14)22-15(11)16(21)19-7-5-18(4)6-8-19/h5-10H2,1-4H3
InChIKeyFHCFRKGPYGMQRL-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.13
Rot. Bonds1

About 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one

3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one (PubChem CID 972346) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one.

Molecular Properties

Compound Name3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one
PubChem CID972346
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CCN(C)CC2)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H24N2O3/c1-11-14-12(20)9-17(2,3)10-13(14)22-15(11)16(21)19-7-5-18(4)6-8-19/h5-10H2,1-4H3
InChIKeyFHCFRKGPYGMQRL-UHFFFAOYSA-N
XLogP2.13
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one?
The IUPAC name of 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one (CID 972346) is 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one.
What is the SMILES notation for 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one?
The canonical SMILES for 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one is Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one?
The InChIKey is FHCFRKGPYGMQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-14-12(20)9-17(2,3)10-13(14)22-15(11)16(21)19-7-5-18(4)6-8-19/h5-10H2,1-4H3.
What are the key properties of 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one?
3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one has a molecular weight of 304.39 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-2-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one is sourced from PubChem (CID 972346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).