1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

C22H24N2O3 — CID 59862940

IUPAC1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCc1cccc(C)c1OCC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O3/c1-15-6-5-7-16(2)20(15)27-14-19(25)24-12-10-22(11-13-24)17-8-3-4-9-18(17)23-21(22)26/h3-9H,10-14H2,1-2H3,(H,23,26)
InChIKeyUFWHOWKSZYWRHS-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.19
Rot. Bonds3

About 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 59862940) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID59862940
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCc1cccc(C)c1OCC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O3/c1-15-6-5-7-16(2)20(15)27-14-19(25)24-12-10-22(11-13-24)17-8-3-4-9-18(17)23-21(22)26/h3-9H,10-14H2,1-2H3,(H,23,26)
InChIKeyUFWHOWKSZYWRHS-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 59862940) is 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is Cc1cccc(C)c1OCC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is UFWHOWKSZYWRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-6-5-7-16(2)20(15)27-14-19(25)24-12-10-22(11-13-24)17-8-3-4-9-18(17)23-21(22)26/h3-9H,10-14H2,1-2H3,(H,23,26).
What are the key properties of 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 59862940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).