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

C20H27FN2O2 — CID 118740890

IUPAC2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
SMILESCCC(=O)N1CCC2(CC1)CC(CC(=O)N(C)C)c1ccc(F)cc12
InChIInChI=1S/C20H27FN2O2/c1-4-18(24)23-9-7-20(8-10-23)13-14(11-19(25)22(2)3)16-6-5-15(21)12-17(16)20/h5-6,12,14H,4,7-11,13H2,1-3H3
InChIKeyOTWFDBKKWLSNIY-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.06
Rot. Bonds3

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

2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide (PubChem CID 118740890) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
PubChem CID118740890
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
SMILESCCC(=O)N1CCC2(CC1)CC(CC(=O)N(C)C)c1ccc(F)cc12
InChIInChI=1S/C20H27FN2O2/c1-4-18(24)23-9-7-20(8-10-23)13-14(11-19(25)22(2)3)16-6-5-15(21)12-17(16)20/h5-6,12,14H,4,7-11,13H2,1-3H3
InChIKeyOTWFDBKKWLSNIY-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-((1-phenylcyclopentyl)carbonyl)-
CID 778763
4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide
CID 11523972
3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)propanamide
CID 11603249
(1S)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one
CID 44351004
US10934302, Example 290
CID 139512071
N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 11523928
2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopropane-1-carboxamide
CID 11523929
2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 11559590
2-benzyl-3,3-dimethyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide
CID 44406975
2-methyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1H-indene-1-carboxamide
CID 44406994
2-(2,3-dihydro-1H-inden-2-yl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 44407036
2-Phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 10357626

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide (CID 118740890) is 2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide is CCC(=O)N1CCC2(CC1)CC(CC(=O)N(C)C)c1ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
The InChIKey is OTWFDBKKWLSNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-4-18(24)23-9-7-20(8-10-23)13-14(11-19(25)22(2)3)16-6-5-15(21)12-17(16)20/h5-6,12,14H,4,7-11,13H2,1-3H3.
What are the key properties of 2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide has a molecular weight of 346.45 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 118740890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).