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

C20H26FNO3 — CID 131656922

IUPAC1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CC(OCC1CC1)c1ccc(F)cc12
InChIInChI=1S/C20H26FNO3/c1-24-13-19(23)22-8-6-20(7-9-22)11-18(25-12-14-2-3-14)16-5-4-15(21)10-17(16)20/h4-5,10,14,18H,2-3,6-9,11-13H2,1H3
InChIKeyZQCNMSNCBZHSGW-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.20
Rot. Bonds5

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

1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone (PubChem CID 131656922) has the molecular formula C20H26FNO3 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone
PubChem CID131656922
Molecular FormulaC20H26FNO3
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CC(OCC1CC1)c1ccc(F)cc12
InChIInChI=1S/C20H26FNO3/c1-24-13-19(23)22-8-6-20(7-9-22)11-18(25-12-14-2-3-14)16-5-4-15(21)10-17(16)20/h4-5,10,14,18H,2-3,6-9,11-13H2,1H3
InChIKeyZQCNMSNCBZHSGW-UHFFFAOYSA-N
XLogP3.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone with MolForge

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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-(Cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 118738993
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
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
N-cyclopropyl-N-[(1R)-1-[5-fluoro-3-[4-(propanoylamino)butoxy]-2,3-dihydro-1H-inden-1-yl]ethyl]morpholine-2-carboxamide
CID 73672400

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone?
The IUPAC name of 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone (CID 131656922) is 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone?
The canonical SMILES for 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone is COCC(=O)N1CCC2(CC1)CC(OCC1CC1)c1ccc(F)cc12.
What is the InChIKey of 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone?
The InChIKey is ZQCNMSNCBZHSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3/c1-24-13-19(23)22-8-6-20(7-9-22)11-18(25-12-14-2-3-14)16-5-4-15(21)10-17(16)20/h4-5,10,14,18H,2-3,6-9,11-13H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone?
1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone has a molecular weight of 347.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone is sourced from PubChem (CID 131656922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).