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

C17H23FN2O — CID 118741143

IUPAC2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CC2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C17H23FN2O/c1-20(2)16(21)9-12-11-17(5-7-19-8-6-17)15-10-13(18)3-4-14(12)15/h3-4,10,12,19H,5-9,11H2,1-2H3
InChIKeyPIAVSQBBFSWSEV-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.41
Rot. Bonds2

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

2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide (PubChem CID 118741143) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
PubChem CID118741143
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CC2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C17H23FN2O/c1-20(2)16(21)9-12-11-17(5-7-19-8-6-17)15-10-13(18)3-4-14(12)15/h3-4,10,12,19H,5-9,11H2,1-2H3
InChIKeyPIAVSQBBFSWSEV-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
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,N-dimethylacetamide?
The IUPAC name of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide (CID 118741143) is 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1CC2(CCNCC2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
The InChIKey is PIAVSQBBFSWSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-20(2)16(21)9-12-11-17(5-7-19-8-6-17)15-10-13(18)3-4-14(12)15/h3-4,10,12,19H,5-9,11H2,1-2H3.
What are the key properties of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide has a molecular weight of 290.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 118741143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).