2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione

C20H19NO4 — CID 1382506

IUPAC2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione
SMILESCc1oc2c(c1C(=O)N1CCC(C)CC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H19NO4/c1-11-7-9-21(10-8-11)20(24)15-12(2)25-19-16(15)17(22)13-5-3-4-6-14(13)18(19)23/h3-6,11H,7-10H2,1-2H3
InChIKeyQOGGXHNNRVSSHD-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.24
Rot. Bonds1

About 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione

2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione (PubChem CID 1382506) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione
PubChem CID1382506
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione
SMILESCc1oc2c(c1C(=O)N1CCC(C)CC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H19NO4/c1-11-7-9-21(10-8-11)20(24)15-12(2)25-19-16(15)17(22)13-5-3-4-6-14(13)18(19)23/h3-6,11H,7-10H2,1-2H3
InChIKeyQOGGXHNNRVSSHD-UHFFFAOYSA-N
XLogP3.24
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione (CID 1382506) is 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione is Cc1oc2c(c1C(=O)N1CCC(C)CC1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione?
The InChIKey is QOGGXHNNRVSSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-11-7-9-21(10-8-11)20(24)15-12(2)25-19-16(15)17(22)13-5-3-4-6-14(13)18(19)23/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione?
2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione has a molecular weight of 337.38 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 1382506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).