1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone

C17H22FNO2 — CID 97400548

IUPAC1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
SMILESCCO[C@H]1CC2(CCN(C(C)=O)CC2)c2cc(F)ccc21
InChIInChI=1S/C17H22FNO2/c1-3-21-16-11-17(6-8-19(9-7-17)12(2)20)15-10-13(18)4-5-14(15)16/h4-5,10,16H,3,6-9,11H2,1-2H3/t16-/m0/s1
InChIKeyHCCQWWAEQQWDCO-INIZCTEOSA-N
MW291.37 g/mol
LogP3.19
Rot. Bonds2

About 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone

1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone (PubChem CID 97400548) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
PubChem CID97400548
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
SMILESCCO[C@H]1CC2(CCN(C(C)=O)CC2)c2cc(F)ccc21
InChIInChI=1S/C17H22FNO2/c1-3-21-16-11-17(6-8-19(9-7-17)12(2)20)15-10-13(18)4-5-14(15)16/h4-5,10,16H,3,6-9,11H2,1-2H3/t16-/m0/s1
InChIKeyHCCQWWAEQQWDCO-INIZCTEOSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone (CID 97400548) is 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone is CCO[C@H]1CC2(CCN(C(C)=O)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
The InChIKey is HCCQWWAEQQWDCO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-3-21-16-11-17(6-8-19(9-7-17)12(2)20)15-10-13(18)4-5-14(15)16/h4-5,10,16H,3,6-9,11H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone?
1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone has a molecular weight of 291.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 97400548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).