[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate

C19H25N3O3 — CID 167476899

IUPAC[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate
SMILESCN(C)CCc1c[nH]c2cccc(OC(=O)N3CCC4(COC4)C3)c12
InChIInChI=1S/C19H25N3O3/c1-21(2)8-6-14-10-20-15-4-3-5-16(17(14)15)25-18(23)22-9-7-19(11-22)12-24-13-19/h3-5,10,20H,6-9,11-13H2,1-2H3
InChIKeyJVXKFLSHTDVAEG-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.49
Rot. Bonds4

About [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate (PubChem CID 167476899) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate
PubChem CID167476899
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate
SMILESCN(C)CCc1c[nH]c2cccc(OC(=O)N3CCC4(COC4)C3)c12
InChIInChI=1S/C19H25N3O3/c1-21(2)8-6-14-10-20-15-4-3-5-16(17(14)15)25-18(23)22-9-7-19(11-22)12-24-13-19/h3-5,10,20H,6-9,11-13H2,1-2H3
InChIKeyJVXKFLSHTDVAEG-UHFFFAOYSA-N
XLogP2.49
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate with MolForge

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] oxetan-3-yl carbonate
CID 167476958
2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate
CID 167476975
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] azetidine-3-carboxylate
CID 176589045
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3-[3-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2,2-dimethyl-3-oxopropoxy]-2,2-dimethylpropanoate
CID 176651426
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4,4-dimethylpentanoate
CID 167476981
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propylsulfanylformate
CID 170212216
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3,3,4,4-tetradeuterio-4-(dimethylamino)-2-methylbutanoate
CID 176651508
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4-methoxybenzoate
CID 169040368

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate (CID 167476899) is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate is CN(C)CCc1c[nH]c2cccc(OC(=O)N3CCC4(COC4)C3)c12.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate?
The InChIKey is JVXKFLSHTDVAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21(2)8-6-14-10-20-15-4-3-5-16(17(14)15)25-18(23)22-9-7-19(11-22)12-24-13-19/h3-5,10,20H,6-9,11-13H2,1-2H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate?
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-oxa-7-azaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 167476899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).