3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one

C22H24N2O2 — CID 5086189

IUPAC3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one
SMILESCOc1ccccc1C=C1C(=O)N(C2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C22H24N2O2/c1-23-13-11-17(12-14-23)24-20-9-5-4-8-18(20)19(22(24)25)15-16-7-3-6-10-21(16)26-2/h3-10,15,17H,11-14H2,1-2H3
InChIKeyXTCPSJMKCQHNQZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.68
Rot. Bonds3

About 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one

3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one (PubChem CID 5086189) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one
PubChem CID5086189
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one
SMILESCOc1ccccc1C=C1C(=O)N(C2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C22H24N2O2/c1-23-13-11-17(12-14-23)24-20-9-5-4-8-18(20)19(22(24)25)15-16-7-3-6-10-21(16)26-2/h3-10,15,17H,11-14H2,1-2H3
InChIKeyXTCPSJMKCQHNQZ-UHFFFAOYSA-N
XLogP3.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one
CID 6305986
1-(1-methylpiperidin-4-yl)indole-2,3-dione
CID 168796503
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
(3E)-1-methyl-3-[(2,4,5-trimethoxyphenyl)methylidene]indol-2-one
CID 7528411
3-[(5-bromo-2-methoxyphenyl)methylidene]-1-methylindol-2-one
CID 3496594
(5E)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 752115
(5Z)-1-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1068367
(3Z)-3-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1-propylindol-2-one
CID 126125874
1-(2-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2898698
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126120168
2-[2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-ylidene]acetonitrile
CID 134563679

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one?
The IUPAC name of 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one (CID 5086189) is 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one is COc1ccccc1C=C1C(=O)N(C2CCN(C)CC2)c2ccccc21.
What is the InChIKey of 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one?
The InChIKey is XTCPSJMKCQHNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-23-13-11-17(12-14-23)24-20-9-5-4-8-18(20)19(22(24)25)15-16-7-3-6-10-21(16)26-2/h3-10,15,17H,11-14H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one?
3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methylidene]-1-(1-methylpiperidin-4-yl)indol-2-one is sourced from PubChem (CID 5086189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).