1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one

C23H26N2O3 — CID 91904585

IUPAC1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCCOc1ccc(CC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C23H26N2O3/c1-3-28-18-10-8-17(9-11-18)16-21(26)25-14-12-23(13-15-25)19-6-4-5-7-20(19)24(2)22(23)27/h4-11H,3,12-16H2,1-2H3
InChIKeyKKEUMZSSFWDMGW-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.16
Rot. Bonds4

About 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91904585) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91904585
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCCOc1ccc(CC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C23H26N2O3/c1-3-28-18-10-8-17(9-11-18)16-21(26)25-14-12-23(13-15-25)19-6-4-5-7-20(19)24(2)22(23)27/h4-11H,3,12-16H2,1-2H3
InChIKeyKKEUMZSSFWDMGW-UHFFFAOYSA-N
XLogP3.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 91904585) is 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one is CCOc1ccc(CC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is KKEUMZSSFWDMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-28-18-10-8-17(9-11-18)16-21(26)25-14-12-23(13-15-25)19-6-4-5-7-20(19)24(2)22(23)27/h4-11H,3,12-16H2,1-2H3.
What are the key properties of 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91904585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).