1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

C24H25FN2O3 — CID 146648337

IUPAC1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(c1ccccc1)N1CCC2(CC1)C(=O)N(CC1CCCO1)c1cccc(F)c12
InChIInChI=1S/C24H25FN2O3/c25-19-9-4-10-20-21(19)24(23(29)27(20)16-18-8-5-15-30-18)11-13-26(14-12-24)22(28)17-6-2-1-3-7-17/h1-4,6-7,9-10,18H,5,8,11-16H2
InChIKeyFUWQUAFSADFUAN-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.53
Rot. Bonds3

About 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146648337) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146648337
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(c1ccccc1)N1CCC2(CC1)C(=O)N(CC1CCCO1)c1cccc(F)c12
InChIInChI=1S/C24H25FN2O3/c25-19-9-4-10-20-21(19)24(23(29)27(20)16-18-8-5-15-30-18)11-13-26(14-12-24)22(28)17-6-2-1-3-7-17/h1-4,6-7,9-10,18H,5,8,11-16H2
InChIKeyFUWQUAFSADFUAN-UHFFFAOYSA-N
XLogP3.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride
CID 11957576
1-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one
CID 4282258
1-(4-fluorophenyl)-4-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)butan-1-one
CID 10618918
N-(3-ethylphenyl)-3-oxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-4-carboxamide
CID 6622039
N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
CID 24789982
(Z)-3-(2-Morpholinobenzylidene)indolin-2-one
CID 5703569
1-(2-Ethylbutyl)-7-fluoro-3-(2-morpholino-2-oxoethylidene)indolin-2-one
CID 44464773
1'-(2-Fluorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134793616
1'-(4-Fluorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134794245
Methyl 2-[2-oxo-1'-(4-oxo-4-phenylbutanoyl)spiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982794
2H-Indol-2-one, 1,3-dihydro-3-ethyl-1-(2-(4-morpholinyl)ethyl)-3-phenyl-, monohydrochloride
CID 216142
2H-Indol-2-one, 1,3-dihydro-1-(2-(4-morpholinyl)ethyl)-3-phenyl-, monohydrochloride
CID 3039296

Frequently Asked Questions

What is the IUPAC name of 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (CID 146648337) is 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is O=C(c1ccccc1)N1CCC2(CC1)C(=O)N(CC1CCCO1)c1cccc(F)c12.
What is the InChIKey of 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is FUWQUAFSADFUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c25-19-9-4-10-20-21(19)24(23(29)27(20)16-18-8-5-15-30-18)11-13-26(14-12-24)22(28)17-6-2-1-3-7-17/h1-4,6-7,9-10,18H,5,8,11-16H2.
What are the key properties of 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 408.47 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzoyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146648337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).