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

C22H24N2O4 — CID 59862952

IUPAC1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cccc(C)c1OCC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O4/c1-15-6-5-9-18(27-2)20(15)28-14-19(25)24-12-10-22(11-13-24)16-7-3-4-8-17(16)23-21(22)26/h3-9H,10-14H2,1-2H3,(H,23,26)
InChIKeyKKBAMEMAADELBL-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.89
Rot. Bonds4

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

1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 59862952) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID59862952
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cccc(C)c1OCC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O4/c1-15-6-5-9-18(27-2)20(15)28-14-19(25)24-12-10-22(11-13-24)16-7-3-4-8-17(16)23-21(22)26/h3-9H,10-14H2,1-2H3,(H,23,26)
InChIKeyKKBAMEMAADELBL-UHFFFAOYSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 59862952) is 1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is COc1cccc(C)c1OCC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is KKBAMEMAADELBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-6-5-9-18(27-2)20(15)28-14-19(25)24-12-10-22(11-13-24)16-7-3-4-8-17(16)23-21(22)26/h3-9H,10-14H2,1-2H3,(H,23,26).
What are the key properties of 1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 380.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 59862952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).