4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide

C20H20N2O4 — CID 137321152

IUPAC4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H20N2O4/c23-17-13-6-2-3-7-14(13)18(24)19-15(17)12-16(26-19)20(25)21-8-11-22-9-4-1-5-10-22/h2-3,6-7,12H,1,4-5,8-11H2,(H,21,25)
InChIKeyMLNGLWWCXHUBMT-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.27
Rot. Bonds4

About 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide

4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide (PubChem CID 137321152) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide
PubChem CID137321152
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H20N2O4/c23-17-13-6-2-3-7-14(13)18(24)19-15(17)12-16(26-19)20(25)21-8-11-22-9-4-1-5-10-22/h2-3,6-7,12H,1,4-5,8-11H2,(H,21,25)
InChIKeyMLNGLWWCXHUBMT-UHFFFAOYSA-N
XLogP2.27
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-Methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f]benzofuran-4,9-quinone
CID 1382506
Furan-2-carboxamide deriv., 17
CID 44236903
1-(4,9-Diketo-2-methyl-benzo[f]benzofuran-3-carbonyl)isonipecotic acid ethyl ester
CID 1179668
2-Hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde
CID 88947020
(4-Benzylpiperazin-1-yl)(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
CID 1034152
Naphtho[2,1-b]furan-2-yl(piperidin-1-yl)methanone
CID 2987801
(4-Methylpiperidin-1-yl)(naphtho[2,1-b]furan-2-yl)methanone
CID 6460594
N-(tert-butyl)(2-methyl-4,9-dioxonaphtho[2,3-b]furan-3-yl)carboxamide
CID 701359
N-isopentyl-2-methyl-4,9-dioxo-4,9-dihydronaphtho[2,3-b]furan-3-carboxamide
CID 701360
2-Methyl-3-(morpholine-4-carbonyl)benzo[f]benzofuran-4,9-quinone
CID 1382504
2-methyl-N-(3-morpholin-4-ylpropyl)-4,9-dioxo-4,9-dihydronaphtho[2,3-b]furan-3-carboxamide
CID 1631709
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 4-methyl-benzylamide
CID 9823968

Frequently Asked Questions

What is the IUPAC name of 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide?
The IUPAC name of 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide (CID 137321152) is 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide.
What is the SMILES notation for 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide?
The canonical SMILES for 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide is O=C(NCCN1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide?
The InChIKey is MLNGLWWCXHUBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-17-13-6-2-3-7-14(13)18(24)19-15(17)12-16(26-19)20(25)21-8-11-22-9-4-1-5-10-22/h2-3,6-7,12H,1,4-5,8-11H2,(H,21,25).
What are the key properties of 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide?
4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dioxo-N-(2-piperidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide is sourced from PubChem (CID 137321152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).