3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one

C21H22FN3O — CID 1250568

IUPAC3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCC1CCN(CN2C(=O)/C(=N\c3cccc(F)c3)c3ccccc32)CC1
InChIInChI=1S/C21H22FN3O/c1-15-9-11-24(12-10-15)14-25-19-8-3-2-7-18(19)20(21(25)26)23-17-6-4-5-16(22)13-17/h2-8,13,15H,9-12,14H2,1H3/b23-20-
InChIKeyYZCJMBXHWPHCQW-ATJXCDBQSA-N
MW351.43 g/mol
LogP3.98
Rot. Bonds3

About 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one

3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (PubChem CID 1250568) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
PubChem CID1250568
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
SMILESCC1CCN(CN2C(=O)/C(=N\c3cccc(F)c3)c3ccccc32)CC1
InChIInChI=1S/C21H22FN3O/c1-15-9-11-24(12-10-15)14-25-19-8-3-2-7-18(19)20(21(25)26)23-17-6-4-5-16(22)13-17/h2-8,13,15H,9-12,14H2,1H3/b23-20-
InChIKeyYZCJMBXHWPHCQW-ATJXCDBQSA-N
XLogP3.98
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
CID 3655995
1-(2-Propynyl)-3-{[3-(trifluoromethyl)phenyl]azamethylene}benzo[d]azolidin-2-one
CID 11544426
1,3-Dihydro-1-[1-(2-phenylethyl)-4-piperidinyl]-2H-indol-2-one
CID 12741865
1-[4-(3-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H-indol-2-one
CID 42625267
1-[4-(4-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H-indol-2-one
CID 42625359
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-indolin-2-one
CID 42626293
1-[5-(4-Phenylpiperazin-1-yl)pentyl]-1,3-dihydro-2H-indol-2-one
CID 42626361
2-[1-(2-Fluoro-benzyl)-piperidin-4-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 44335678
2-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 44335884
2-[1-(3-Fluoro-benzyl)-piperidin-4-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 44335886
1-(Ethylpropyl)-3-{[3-(trifluoromethyl)phenyl]azamethylene}benzo[d]azolidin-2-one
CID 44412817
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3H-indol-2-one
CID 71624267

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The IUPAC name of 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one (CID 1250568) is 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The canonical SMILES for 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is CC1CCN(CN2C(=O)/C(=N\c3cccc(F)c3)c3ccccc32)CC1.
What is the InChIKey of 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
The InChIKey is YZCJMBXHWPHCQW-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-15-9-11-24(12-10-15)14-25-19-8-3-2-7-18(19)20(21(25)26)23-17-6-4-5-16(22)13-17/h2-8,13,15H,9-12,14H2,1H3/b23-20-.
What are the key properties of 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one?
3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one has a molecular weight of 351.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one is sourced from PubChem (CID 1250568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).