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

C18H19ClFN3O — CID 118741579

IUPAC5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride
SMILESCN1CCC2(CC1)C(=O)N(c1cccnc1)c1ccc(F)cc12.Cl
InChIInChI=1S/C18H18FN3O.ClH/c1-21-9-6-18(7-10-21)15-11-13(19)4-5-16(15)22(17(18)23)14-3-2-8-20-12-14;/h2-5,8,11-12H,6-7,9-10H2,1H3;1H
InChIKeyZSIILPBUZMXEDU-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.28
Rot. Bonds1

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

5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride (PubChem CID 118741579) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is 5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride.

Molecular Properties

Compound Name5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride
PubChem CID118741579
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride
SMILESCN1CCC2(CC1)C(=O)N(c1cccnc1)c1ccc(F)cc12.Cl
InChIInChI=1S/C18H18FN3O.ClH/c1-21-9-6-18(7-10-21)15-11-13(19)4-5-16(15)22(17(18)23)14-3-2-8-20-12-14;/h2-5,8,11-12H,6-7,9-10H2,1H3;1H
InChIKeyZSIILPBUZMXEDU-UHFFFAOYSA-N
XLogP3.28
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride?
The IUPAC name of 5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride (CID 118741579) is 5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride.
What is the SMILES notation for 5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride?
The canonical SMILES for 5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride is CN1CCC2(CC1)C(=O)N(c1cccnc1)c1ccc(F)cc12.Cl.
What is the InChIKey of 5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride?
The InChIKey is ZSIILPBUZMXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O.ClH/c1-21-9-6-18(7-10-21)15-11-13(19)4-5-16(15)22(17(18)23)14-3-2-8-20-12-14;/h2-5,8,11-12H,6-7,9-10H2,1H3;1H.
What are the key properties of 5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride?
5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride has a molecular weight of 347.82 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride is sourced from PubChem (CID 118741579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).