ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate

C22H30N2O4 — CID 14414969

IUPACethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate
SMILESCCOC(=O)C[C@H]1CC(=O)N(CCc2c[nH]c3cc(OC)ccc23)C[C@@H]1CC
InChIInChI=1S/C22H30N2O4/c1-4-15-14-24(21(25)10-17(15)11-22(26)28-5-2)9-8-16-13-23-20-12-18(27-3)6-7-19(16)20/h6-7,12-13,15,17,23H,4-5,8-11,14H2,1-3H3/t15-,17+/m0/s1
InChIKeyJSKFQJLSKGNJRG-DOTOQJQBSA-N
MW386.49 g/mol
LogP3.55
Rot. Bonds8

About ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate

ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate (PubChem CID 14414969) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate
PubChem CID14414969
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Nameethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate
SMILESCCOC(=O)C[C@H]1CC(=O)N(CCc2c[nH]c3cc(OC)ccc23)C[C@@H]1CC
InChIInChI=1S/C22H30N2O4/c1-4-15-14-24(21(25)10-17(15)11-22(26)28-5-2)9-8-16-13-23-20-12-18(27-3)6-7-19(16)20/h6-7,12-13,15,17,23H,4-5,8-11,14H2,1-3H3/t15-,17+/m0/s1
InChIKeyJSKFQJLSKGNJRG-DOTOQJQBSA-N
XLogP3.55
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168507488
N-(2,5-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204433
ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate
CID 168930983
(3S)-N-(2,3-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 27890582
(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42560657
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 17204443
(3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 29066813
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
6-methoxy-3-(2-nitroethyl)-1H-indole
CID 71331242
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate (CID 14414969) is ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate is CCOC(=O)C[C@H]1CC(=O)N(CCc2c[nH]c3cc(OC)ccc23)C[C@@H]1CC.
What is the InChIKey of ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate?
The InChIKey is JSKFQJLSKGNJRG-DOTOQJQBSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-4-15-14-24(21(25)10-17(15)11-22(26)28-5-2)9-8-16-13-23-20-12-18(27-3)6-7-19(16)20/h6-7,12-13,15,17,23H,4-5,8-11,14H2,1-3H3/t15-,17+/m0/s1.
What are the key properties of ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate?
ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate has a molecular weight of 386.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate is sourced from PubChem (CID 14414969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).