4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one

C23H26FN3O2 — CID 69093398

IUPAC4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one
SMILESC=C1C(=O)N(c2ccccc2)c2ccc(NC3CCN(CCOC)CC3)c(F)c21
InChIInChI=1S/C23H26FN3O2/c1-16-21-20(27(23(16)28)18-6-4-3-5-7-18)9-8-19(22(21)24)25-17-10-12-26(13-11-17)14-15-29-2/h3-9,17,25H,1,10-15H2,2H3
InChIKeyIDYTZMWOQZZRLK-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.04
Rot. Bonds6

About 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one

4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one (PubChem CID 69093398) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one.

Molecular Properties

Compound Name4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one
PubChem CID69093398
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one
SMILESC=C1C(=O)N(c2ccccc2)c2ccc(NC3CCN(CCOC)CC3)c(F)c21
InChIInChI=1S/C23H26FN3O2/c1-16-21-20(27(23(16)28)18-6-4-3-5-7-18)9-8-19(22(21)24)25-17-10-12-26(13-11-17)14-15-29-2/h3-9,17,25H,1,10-15H2,2H3
InChIKeyIDYTZMWOQZZRLK-UHFFFAOYSA-N
XLogP4.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one?
The IUPAC name of 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one (CID 69093398) is 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one.
What is the SMILES notation for 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one?
The canonical SMILES for 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one is C=C1C(=O)N(c2ccccc2)c2ccc(NC3CCN(CCOC)CC3)c(F)c21.
What is the InChIKey of 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one?
The InChIKey is IDYTZMWOQZZRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16-21-20(27(23(16)28)18-6-4-3-5-7-18)9-8-19(22(21)24)25-17-10-12-26(13-11-17)14-15-29-2/h3-9,17,25H,1,10-15H2,2H3.
What are the key properties of 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one?
4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one has a molecular weight of 395.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylidene-1-phenylindol-2-one is sourced from PubChem (CID 69093398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).