5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one

C16H21FN2O — CID 118742023

IUPAC5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)N1C(=O)C2(CCN(C)CC2)c2cc(F)ccc21
InChIInChI=1S/C16H21FN2O/c1-11(2)19-14-5-4-12(17)10-13(14)16(15(19)20)6-8-18(3)9-7-16/h4-5,10-11H,6-9H2,1-3H3
InChIKeyBUIIXAUICZUUDR-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.54
Rot. Bonds1

About 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one

5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 118742023) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID118742023
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)N1C(=O)C2(CCN(C)CC2)c2cc(F)ccc21
InChIInChI=1S/C16H21FN2O/c1-11(2)19-14-5-4-12(17)10-13(14)16(15(19)20)6-8-18(3)9-7-16/h4-5,10-11H,6-9H2,1-3H3
InChIKeyBUIIXAUICZUUDR-UHFFFAOYSA-N
XLogP2.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one (CID 118742023) is 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one is CC(C)N1C(=O)C2(CCN(C)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is BUIIXAUICZUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-11(2)19-14-5-4-12(17)10-13(14)16(15(19)20)6-8-18(3)9-7-16/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 276.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-methyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 118742023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).