1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one

C19H24FNO2 — CID 131651775

IUPAC1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
SMILESC=CCOC1CC2(CCN(C(=O)CC)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H24FNO2/c1-3-11-23-17-13-19(16-12-14(20)5-6-15(16)17)7-9-21(10-8-19)18(22)4-2/h3,5-6,12,17H,1,4,7-11,13H2,2H3
InChIKeySQCDBWQFNFGYNH-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.74
Rot. Bonds4

About 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one

1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one (PubChem CID 131651775) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
PubChem CID131651775
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
SMILESC=CCOC1CC2(CCN(C(=O)CC)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H24FNO2/c1-3-11-23-17-13-19(16-12-14(20)5-6-15(16)17)7-9-21(10-8-19)18(22)4-2/h3,5-6,12,17H,1,4,7-11,13H2,2H3
InChIKeySQCDBWQFNFGYNH-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one
CID 131687350
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-(5-methyl-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 131679950
tert-butyl (1R)-1-amino-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530623
[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 97452679
1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one
CID 118742603
(1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 131658832
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
2-[2-[6-(1-aminoisoquinolin-5-yl)-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxyphenyl]acetic acid
CID 170559532
[(E)-but-2-en-2-yl] (2R,4R)-4-amino-2-(4-fluoro-2-methylphenyl)-4-prop-2-enylpiperidine-1-carboxylate
CID 88991814
(2R,4S)-4-amino-2-(4-fluoro-2-methylphenyl)-4-prop-2-enylpiperidine-1-carboxylic acid
CID 68978855
(E)-1-[5-fluoro-1-(2-oxopropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 89415847
ethyl 2-[2-[6-(1-aminoisoquinolin-7-yl)-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxyphenyl]acetate
CID 170559775

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The IUPAC name of 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one (CID 131651775) is 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The canonical SMILES for 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one is C=CCOC1CC2(CCN(C(=O)CC)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The InChIKey is SQCDBWQFNFGYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-3-11-23-17-13-19(16-12-14(20)5-6-15(16)17)7-9-21(10-8-19)18(22)4-2/h3,5-6,12,17H,1,4,7-11,13H2,2H3.
What are the key properties of 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one has a molecular weight of 317.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one is sourced from PubChem (CID 131651775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).