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

C19H24FNO3 — CID 131645977

IUPAC1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESC=CCOC1CC2(CCN(C(=O)COC)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H24FNO3/c1-3-10-24-17-12-19(16-11-14(20)4-5-15(16)17)6-8-21(9-7-19)18(22)13-23-2/h3-5,11,17H,1,6-10,12-13H2,2H3
InChIKeyQOFLQBYPRYDUMC-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.98
Rot. Bonds5

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

1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (PubChem CID 131645977) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
PubChem CID131645977
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESC=CCOC1CC2(CCN(C(=O)COC)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H24FNO3/c1-3-10-24-17-12-19(16-11-14(20)4-5-15(16)17)6-8-21(9-7-19)18(22)13-23-2/h3-5,11,17H,1,6-10,12-13H2,2H3
InChIKeyQOFLQBYPRYDUMC-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropyridin-2-yl)-2-[6-(5-ethyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl]acetamide
CID 53150608
1-[4-[2-[(3-Fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone
CID 53150642
1-(1-Ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738956
1-(5-Fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738957
1-(1-Ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118738962
1-(1-Ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738967
1-(4-{2-[(2-Fluorophenyl)methoxy]ethyl}piperidin-1-YL)-2-methoxyethan-1-one
CID 53150669
1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone
CID 95721819
1-[1-(Cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone
CID 131656922
2-(5-Fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid
CID 134078077
1-(Cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 134079309
1-[2-(4-Fluorophenyl)morpholin-4-yl]-2-propan-2-yloxyethanone
CID 48158527

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The IUPAC name of 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (CID 131645977) is 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The canonical SMILES for 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone is C=CCOC1CC2(CCN(C(=O)COC)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The InChIKey is QOFLQBYPRYDUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-3-10-24-17-12-19(16-11-14(20)4-5-15(16)17)6-8-21(9-7-19)18(22)13-23-2/h3-5,11,17H,1,6-10,12-13H2,2H3.
What are the key properties of 1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone has a molecular weight of 333.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 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)-2-methoxyethanone is sourced from PubChem (CID 131645977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).