2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate

C17H22N2O4 — CID 15982399

IUPAC2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate
SMILESCOc1ccc2c(c1)N(CCOC(C)=O)C(=O)C21CCNCC1
InChIInChI=1S/C17H22N2O4/c1-12(20)23-10-9-19-15-11-13(22-2)3-4-14(15)17(16(19)21)5-7-18-8-6-17/h3-4,11,18H,5-10H2,1-2H3
InChIKeyAEYKHQUFYTWVAR-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.23
Rot. Bonds4

About 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate

2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate (PubChem CID 15982399) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate
PubChem CID15982399
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate
SMILESCOc1ccc2c(c1)N(CCOC(C)=O)C(=O)C21CCNCC1
InChIInChI=1S/C17H22N2O4/c1-12(20)23-10-9-19-15-11-13(22-2)3-4-14(15)17(16(19)21)5-7-18-8-6-17/h3-4,11,18H,5-10H2,1-2H3
InChIKeyAEYKHQUFYTWVAR-UHFFFAOYSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1-[(4-methoxyphenyl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 15982400
1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 68815259
4-fluoro-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 138594585
2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84726602
1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155914854
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate
CID 20544109
ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate
CID 71193435
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705250
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate?
The IUPAC name of 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate (CID 15982399) is 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate.
What is the SMILES notation for 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate?
The canonical SMILES for 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate is COc1ccc2c(c1)N(CCOC(C)=O)C(=O)C21CCNCC1.
What is the InChIKey of 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate?
The InChIKey is AEYKHQUFYTWVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(20)23-10-9-19-15-11-13(22-2)3-4-14(15)17(16(19)21)5-7-18-8-6-17/h3-4,11,18H,5-10H2,1-2H3.
What are the key properties of 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate?
2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate has a molecular weight of 318.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)ethyl acetate is sourced from PubChem (CID 15982399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).