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

C22H24N2O3 — CID 56893243

IUPAC1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
SMILESCc1ccc(OCC(=O)N2CCCC3(C2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-16-8-10-17(11-9-16)27-14-20(25)24-13-5-12-22(15-24)18-6-3-4-7-19(18)23(2)21(22)26/h3-4,6-11H,5,12-15H2,1-2H3
InChIKeyQPFJIHROSRWUDW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.91
Rot. Bonds3

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

1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one (PubChem CID 56893243) 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-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
PubChem CID56893243
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
SMILESCc1ccc(OCC(=O)N2CCCC3(C2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-16-8-10-17(11-9-16)27-14-20(25)24-13-5-12-22(15-24)18-6-3-4-7-19(18)23(2)21(22)26/h3-4,6-11H,5,12-15H2,1-2H3
InChIKeyQPFJIHROSRWUDW-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-3,4'-piperidine]-2-one
CID 56885360
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
N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide
CID 95718613
(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 125162169
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
(3R)-N-(4-ethoxyphenyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104043
1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56894304
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56909632
(3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95725294
1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56889274

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one (CID 56893243) is 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one is Cc1ccc(OCC(=O)N2CCCC3(C2)C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one?
The InChIKey is QPFJIHROSRWUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-8-10-17(11-9-16)27-14-20(25)24-13-5-12-22(15-24)18-6-3-4-7-19(18)23(2)21(22)26/h3-4,6-11H,5,12-15H2,1-2H3.
What are the key properties of 1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one?
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-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-3,3'-piperidine]-2-one is sourced from PubChem (CID 56893243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).