1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one

C19H19FN2O — CID 175186657

IUPAC1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(Cc2ccccc2)c2cccc(F)c2C12CCNCC2
InChIInChI=1S/C19H19FN2O/c20-15-7-4-8-16-17(15)19(9-11-21-12-10-19)18(23)22(16)13-14-5-2-1-3-6-14/h1-8,21H,9-13H2
InChIKeyUPIKFZVEWQMERW-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.99
Rot. Bonds2

About 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one

1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one (PubChem CID 175186657) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
PubChem CID175186657
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(Cc2ccccc2)c2cccc(F)c2C12CCNCC2
InChIInChI=1S/C19H19FN2O/c20-15-7-4-8-16-17(15)19(9-11-21-12-10-19)18(23)22(16)13-14-5-2-1-3-6-14/h1-8,21H,9-13H2
InChIKeyUPIKFZVEWQMERW-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 138594585
tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate
CID 68543344
1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 155972674
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
1-benzyl-4-fluoroindole-2,3-dione
CID 73294017
(3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one
CID 137378618
(3R)-3-amino-1-benzyl-4-bromo-3-methylindol-2-one
CID 57379288
1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one
CID 146648333
1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70712830
6-methoxy-1-[(4-methoxyphenyl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 15982400
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155914766
4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 159092005

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one (CID 175186657) is 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one is O=C1N(Cc2ccccc2)c2cccc(F)c2C12CCNCC2.
What is the InChIKey of 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one?
The InChIKey is UPIKFZVEWQMERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-15-7-4-8-16-17(15)19(9-11-21-12-10-19)18(23)22(16)13-14-5-2-1-3-6-14/h1-8,21H,9-13H2.
What are the key properties of 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one?
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one has a molecular weight of 310.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 175186657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).