5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine]

C17H19FN2O — CID 56979619

IUPAC5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine]
SMILESCN1CCCC2(C1)Oc1ccc(F)cc1C2n1cccc1
InChIInChI=1S/C17H19FN2O/c1-19-8-4-7-17(12-19)16(20-9-2-3-10-20)14-11-13(18)5-6-15(14)21-17/h2-3,5-6,9-11,16H,4,7-8,12H2,1H3
InChIKeyQDCNCDTWBYEBSV-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.07
Rot. Bonds1

About 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine]

5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine] (PubChem CID 56979619) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine].

Molecular Properties

Compound Name5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine]
PubChem CID56979619
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine]
SMILESCN1CCCC2(C1)Oc1ccc(F)cc1C2n1cccc1
InChIInChI=1S/C17H19FN2O/c1-19-8-4-7-17(12-19)16(20-9-2-3-10-20)14-11-13(18)5-6-15(14)21-17/h2-3,5-6,9-11,16H,4,7-8,12H2,1H3
InChIKeyQDCNCDTWBYEBSV-UHFFFAOYSA-N
XLogP3.07
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine] with MolForge

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Related Compounds

3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480242
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-((E)-styryl)-pyridine
CID 22872637
3-Hexyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44318727
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenethyl-pyridine
CID 44371959
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-p-tolyl-pyridine
CID 44372094
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-phenylamine
CID 44372111
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(4-trifluoromethyl-phenyl)-pyridine
CID 44372121
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine]?
The IUPAC name of 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine] (CID 56979619) is 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine].
What is the SMILES notation for 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine]?
The canonical SMILES for 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine] is CN1CCCC2(C1)Oc1ccc(F)cc1C2n1cccc1.
What is the InChIKey of 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine]?
The InChIKey is QDCNCDTWBYEBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-19-8-4-7-17(12-19)16(20-9-2-3-10-20)14-11-13(18)5-6-15(14)21-17/h2-3,5-6,9-11,16H,4,7-8,12H2,1H3.
What are the key properties of 5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine]?
5-fluoro-1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine] has a molecular weight of 286.35 g/mol, XLogP of 3.07, 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-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,3'-piperidine] is sourced from PubChem (CID 56979619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).