(3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one

C23H24N2O4 — CID 127052354

IUPAC(3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H24N2O4/c1-28-21-14-16(13-18-17-7-3-4-8-19(17)24-23(18)27)9-10-20(21)29-15-22(26)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,24,27)/b18-13-
InChIKeyVAXDDPWPJVXYFR-AQTBWJFISA-N
MW392.46 g/mol
LogP3.58
Rot. Bonds5

About (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one

(3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 127052354) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID127052354
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H24N2O4/c1-28-21-14-16(13-18-17-7-3-4-8-19(17)24-23(18)27)9-10-20(21)29-15-22(26)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,24,27)/b18-13-
InChIKeyVAXDDPWPJVXYFR-AQTBWJFISA-N
XLogP3.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
(3,4-Diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 776356
N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
1-[2-(2-Methoxyphenoxy)propanoyl]indoline
CID 4943179
3,4-Dimethoxy-N-[4-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 1134573
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
CID 847892
1-(3-fluoro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10003368
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10409431
1-(4-Methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10410103
1-(3-fluorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10454231
1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10477339
2-(benzo[d][1,3]dioxol-5-yl)-N-(3-(3-morpholinopropoxy)phenyl)acetamide
CID 25014612

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one (CID 127052354) is (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is VAXDDPWPJVXYFR-AQTBWJFISA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-21-14-16(13-18-17-7-3-4-8-19(17)24-23(18)27)9-10-20(21)29-15-22(26)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,24,27)/b18-13-.
What are the key properties of (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
(3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 127052354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).