1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one

C20H23N3O3 — CID 91914391

IUPAC1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(C(=O)c3c(C)noc3C)CC2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-4-23-16-8-6-5-7-15(16)20(19(23)25)9-11-22(12-10-20)18(24)17-13(2)21-26-14(17)3/h5-8H,4,9-12H2,1-3H3
InChIKeyNGSZUCJJUWOVGE-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.83
Rot. Bonds2

About 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one

1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91914391) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91914391
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(C(=O)c3c(C)noc3C)CC2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-4-23-16-8-6-5-7-15(16)20(19(23)25)9-11-22(12-10-20)18(24)17-13(2)21-26-14(17)3/h5-8H,4,9-12H2,1-3H3
InChIKeyNGSZUCJJUWOVGE-UHFFFAOYSA-N
XLogP2.83
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one (CID 91914391) is 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCN(C(=O)c3c(C)noc3C)CC2)c2ccccc21.
What is the InChIKey of 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is NGSZUCJJUWOVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23-16-8-6-5-7-15(16)20(19(23)25)9-11-22(12-10-20)18(24)17-13(2)21-26-14(17)3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one?
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 353.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91914391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).