(2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one

C23H20N2O4 — CID 157287132

IUPAC(2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one
SMILESO=C1/C(=C/C2=NCc3ccccc32)Oc2c1ccc(O)c2C(=O)N1CCCCC1
InChIInChI=1S/C23H20N2O4/c26-18-9-8-16-21(27)19(12-17-15-7-3-2-6-14(15)13-24-17)29-22(16)20(18)23(28)25-10-4-1-5-11-25/h2-3,6-9,12,26H,1,4-5,10-11,13H2/b19-12-
InChIKeyZLNXKGHMJJPSDG-UNOMPAQXSA-N
MW388.42 g/mol
LogP3.48
Rot. Bonds2

About (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one

(2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one (PubChem CID 157287132) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one
PubChem CID157287132
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one
SMILESO=C1/C(=C/C2=NCc3ccccc32)Oc2c1ccc(O)c2C(=O)N1CCCCC1
InChIInChI=1S/C23H20N2O4/c26-18-9-8-16-21(27)19(12-17-15-7-3-2-6-14(15)13-24-17)29-22(16)20(18)23(28)25-10-4-1-5-11-25/h2-3,6-9,12,26H,1,4-5,10-11,13H2/b19-12-
InChIKeyZLNXKGHMJJPSDG-UNOMPAQXSA-N
XLogP3.48
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one 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

(2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one
CID 158924615
(2Z)-2-(3H-isoindol-1-ylmethylidene)-6-methyl-7-(3-piperazin-1-ylpropyl)-1-benzofuran-3-one
CID 162265265
(2Z)-2-(3H-isoindol-1-ylmethylidene)-6-methyl-7-(3-piperidin-4-ylprop-1-ynyl)-1-benzofuran-3-one
CID 159412445
(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 159758050
(6Z)-6-(3H-isoindol-1-ylmethylidene)-4-(piperazin-1-ylmethyl)furo[3,2-f][1,3]benzodioxol-7-one
CID 159688642
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
2-(furan-2-ylmethylidene)-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 4890241
7-(azepan-1-ylmethyl)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
CID 4899614
(2Z)-7-(1,4-diazepan-1-ylmethyl)-6-hydroxy-2-(3H-inden-1-ylmethylidene)-1-benzofuran-3-one
CID 161320110
(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
CID 177389939
6-hydroxy-7-methyl-2-[(4-methylpiperazin-1-yl)methylidene]-1-benzofuran-3-one
CID 30851203
2-cinnamylidene-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 4885784

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one (CID 157287132) is (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one is O=C1/C(=C/C2=NCc3ccccc32)Oc2c1ccc(O)c2C(=O)N1CCCCC1.
What is the InChIKey of (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one?
The InChIKey is ZLNXKGHMJJPSDG-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-18-9-8-16-21(27)19(12-17-15-7-3-2-6-14(15)13-24-17)29-22(16)20(18)23(28)25-10-4-1-5-11-25/h2-3,6-9,12,26H,1,4-5,10-11,13H2/b19-12-.
What are the key properties of (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one?
(2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one has a molecular weight of 388.42 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one is sourced from PubChem (CID 157287132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).