1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one

C23H26FN3O2 — CID 69093399

IUPAC1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one
SMILESC=C1C(=O)N(c2ccccc2F)c2ccc(NC3CCN(CCOC)CC3)cc21
InChIInChI=1S/C23H26FN3O2/c1-16-19-15-18(25-17-9-11-26(12-10-17)13-14-29-2)7-8-21(19)27(23(16)28)22-6-4-3-5-20(22)24/h3-8,15,17,25H,1,9-14H2,2H3
InChIKeyWXXKMHBGNDOYPM-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.04
Rot. Bonds6

About 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one

1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one (PubChem CID 69093399) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one
PubChem CID69093399
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one
SMILESC=C1C(=O)N(c2ccccc2F)c2ccc(NC3CCN(CCOC)CC3)cc21
InChIInChI=1S/C23H26FN3O2/c1-16-19-15-18(25-17-9-11-26(12-10-17)13-14-29-2)7-8-21(19)27(23(16)28)22-6-4-3-5-20(22)24/h3-8,15,17,25H,1,9-14H2,2H3
InChIKeyWXXKMHBGNDOYPM-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'}

Analyze 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one?
The IUPAC name of 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one (CID 69093399) is 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one is C=C1C(=O)N(c2ccccc2F)c2ccc(NC3CCN(CCOC)CC3)cc21.
What is the InChIKey of 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one?
The InChIKey is WXXKMHBGNDOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16-19-15-18(25-17-9-11-26(12-10-17)13-14-29-2)7-8-21(19)27(23(16)28)22-6-4-3-5-20(22)24/h3-8,15,17,25H,1,9-14H2,2H3.
What are the key properties of 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one?
1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-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 1-(2-fluorophenyl)-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methylideneindol-2-one is sourced from PubChem (CID 69093399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).