2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide

C16H21FN2O — CID 118740891

IUPAC2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C16H21FN2O/c1-18-15(20)8-11-10-16(4-6-19-7-5-16)14-9-12(17)2-3-13(11)14/h2-3,9,11,19H,4-8,10H2,1H3,(H,18,20)
InChIKeyVGGQDDIHNLZUCN-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.07
Rot. Bonds2

About 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide

2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide (PubChem CID 118740891) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide
PubChem CID118740891
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C16H21FN2O/c1-18-15(20)8-11-10-16(4-6-19-7-5-16)14-9-12(17)2-3-13(11)14/h2-3,9,11,19H,4-8,10H2,1H3,(H,18,20)
InChIKeyVGGQDDIHNLZUCN-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide (CID 118740891) is 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide is CNC(=O)CC1CC2(CCNCC2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide?
The InChIKey is VGGQDDIHNLZUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-18-15(20)8-11-10-16(4-6-19-7-5-16)14-9-12(17)2-3-13(11)14/h2-3,9,11,19H,4-8,10H2,1H3,(H,18,20).
What are the key properties of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide?
2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide has a molecular weight of 276.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-methylacetamide is sourced from PubChem (CID 118740891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).