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

C19H27NO3 — CID 118738967

IUPAC1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCCOC1CC2(CCN(C(=O)COC)CC2)c2cc(C)ccc21
InChIInChI=1S/C19H27NO3/c1-4-23-17-12-19(16-11-14(2)5-6-15(16)17)7-9-20(10-8-19)18(21)13-22-3/h5-6,11,17H,4,7-10,12-13H2,1-3H3
InChIKeyQOVFXABXDZKJFW-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.98
Rot. Bonds4

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

1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (PubChem CID 118738967) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
PubChem CID118738967
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCCOC1CC2(CCN(C(=O)COC)CC2)c2cc(C)ccc21
InChIInChI=1S/C19H27NO3/c1-4-23-17-12-19(16-11-14(2)5-6-15(16)17)7-9-20(10-8-19)18(21)13-22-3/h5-6,11,17H,4,7-10,12-13H2,1-3H3
InChIKeyQOVFXABXDZKJFW-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(Cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 118738993
2-(1-Ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol
CID 118739108
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
1-[(1R)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
CID 97400547
1-[(1S)-1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
CID 97400548
1-[(1S)-5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
CID 97415973
1-[(1R)-5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
CID 97415974
1-[(1S)-5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methylpropan-1-one
CID 97504261

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The IUPAC name of 1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (CID 118738967) is 1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The canonical SMILES for 1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone is CCOC1CC2(CCN(C(=O)COC)CC2)c2cc(C)ccc21.
What is the InChIKey of 1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The InChIKey is QOVFXABXDZKJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-4-23-17-12-19(16-11-14(2)5-6-15(16)17)7-9-20(10-8-19)18(21)13-22-3/h5-6,11,17H,4,7-10,12-13H2,1-3H3.
What are the key properties of 1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone has a molecular weight of 317.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone is sourced from PubChem (CID 118738967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).