1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

C18H26N2O2 — CID 97400073

IUPAC1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCOCCN1CCC2(CC1)CN(C(C)=O)c1ccc(C)cc12
InChIInChI=1S/C18H26N2O2/c1-14-4-5-17-16(12-14)18(13-20(17)15(2)21)6-8-19(9-7-18)10-11-22-3/h4-5,12H,6-11,13H2,1-3H3
InChIKeyTVDJSMNDEYIYOE-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.34
Rot. Bonds3

About 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (PubChem CID 97400073) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
PubChem CID97400073
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCOCCN1CCC2(CC1)CN(C(C)=O)c1ccc(C)cc12
InChIInChI=1S/C18H26N2O2/c1-14-4-5-17-16(12-14)18(13-20(17)15(2)21)6-8-19(9-7-18)10-11-22-3/h4-5,12H,6-11,13H2,1-3H3
InChIKeyTVDJSMNDEYIYOE-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The IUPAC name of 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (CID 97400073) is 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.
What is the SMILES notation for 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The canonical SMILES for 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is COCCN1CCC2(CC1)CN(C(C)=O)c1ccc(C)cc12.
What is the InChIKey of 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The InChIKey is TVDJSMNDEYIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-4-5-17-16(12-14)18(13-20(17)15(2)21)6-8-19(9-7-18)10-11-22-3/h4-5,12H,6-11,13H2,1-3H3.
What are the key properties of 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(2-methoxyethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 97400073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).