7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

C19H20FN3O — CID 118741591

IUPAC7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(Cc3cccnc3)CC2)c2cccc(F)c21
InChIInChI=1S/C19H20FN3O/c1-22-17-15(5-2-6-16(17)20)19(18(22)24)7-10-23(11-8-19)13-14-4-3-9-21-12-14/h2-6,9,12H,7-8,10-11,13H2,1H3
InChIKeyPEZAYPWPSMSFML-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.73
Rot. Bonds2

About 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 118741591) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID118741591
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(Cc3cccnc3)CC2)c2cccc(F)c21
InChIInChI=1S/C19H20FN3O/c1-22-17-15(5-2-6-16(17)20)19(18(22)24)7-10-23(11-8-19)13-14-4-3-9-21-12-14/h2-6,9,12H,7-8,10-11,13H2,1H3
InChIKeyPEZAYPWPSMSFML-UHFFFAOYSA-N
XLogP2.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (CID 118741591) is 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(Cc3cccnc3)CC2)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is PEZAYPWPSMSFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-22-17-15(5-2-6-16(17)20)19(18(22)24)7-10-23(11-8-19)13-14-4-3-9-21-12-14/h2-6,9,12H,7-8,10-11,13H2,1H3.
What are the key properties of 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 325.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 118741591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).