(3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one

C21H23N3O3 — CID 113196426

IUPAC(3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\N1CCN(c3ccccc3OC)CC1)C(=O)N2
InChIInChI=1S/C21H23N3O3/c1-26-15-7-8-18-16(13-15)17(21(25)22-18)14-23-9-11-24(12-10-23)19-5-3-4-6-20(19)27-2/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)/b17-14+
InChIKeyDLCFGOWFWNRUQE-SAPNQHFASA-N
MW365.43 g/mol
LogP2.82
Rot. Bonds4

About (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one

(3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one (PubChem CID 113196426) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one
PubChem CID113196426
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\N1CCN(c3ccccc3OC)CC1)C(=O)N2
InChIInChI=1S/C21H23N3O3/c1-26-15-7-8-18-16(13-15)17(21(25)22-18)14-23-9-11-24(12-10-23)19-5-3-4-6-20(19)27-2/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)/b17-14+
InChIKeyDLCFGOWFWNRUQE-SAPNQHFASA-N
XLogP2.82
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one
CID 113196375
(3E)-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
CID 113195888
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
(3E)-5-chloro-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methylidene]-1H-indol-2-one
CID 113196253
4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane
CID 176933740
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380844
3-[1-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-4-methylpyrrol-3-yl]propanoic acid
CID 57120196
2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]isoindole-1,3-dione
CID 74226848
(E)-3-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 2597877
1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077949
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
5-bromo-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 5147801

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one (CID 113196426) is (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one is COc1ccc2c(c1)/C(=C\N1CCN(c3ccccc3OC)CC1)C(=O)N2.
What is the InChIKey of (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one?
The InChIKey is DLCFGOWFWNRUQE-SAPNQHFASA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-15-7-8-18-16(13-15)17(21(25)22-18)14-23-9-11-24(12-10-23)19-5-3-4-6-20(19)27-2/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)/b17-14+.
What are the key properties of (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one?
(3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 113196426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).