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

C22H24N2O3 — CID 56885360

IUPAC1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCc1ccc(OCC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-16-7-9-17(10-8-16)27-15-20(25)24-13-11-22(12-14-24)18-5-3-4-6-19(18)23(2)21(22)26/h3-10H,11-15H2,1-2H3
InChIKeyVNWGDKXJZUFIEI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.91
Rot. Bonds3

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

1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 56885360) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID56885360
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCc1ccc(OCC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-16-7-9-17(10-8-16)27-15-20(25)24-13-11-22(12-14-24)18-5-3-4-6-19(18)23(2)21(22)26/h3-10H,11-15H2,1-2H3
InChIKeyVNWGDKXJZUFIEI-UHFFFAOYSA-N
XLogP2.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 53177255
(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
(3R)-N-(4-ethoxyphenyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104043
ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate
CID 113080764
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one (CID 56885360) is 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one is Cc1ccc(OCC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is VNWGDKXJZUFIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-7-9-17(10-8-16)27-15-20(25)24-13-11-22(12-14-24)18-5-3-4-6-19(18)23(2)21(22)26/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56885360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).