2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

C22H31N3O3 — CID 166467537

IUPAC2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCN(C)CCc1cn(C(=O)OCCN2CCCCC23COC3)c2ccccc12
InChIInChI=1S/C22H31N3O3/c1-23(2)12-9-18-15-25(20-8-4-3-7-19(18)20)21(26)28-14-13-24-11-6-5-10-22(24)16-27-17-22/h3-4,7-8,15H,5-6,9-14,16-17H2,1-2H3
InChIKeyCBKJQYXWJOMFQY-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.98
Rot. Bonds6

About 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (PubChem CID 166467537) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.

Molecular Properties

Compound Name2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
PubChem CID166467537
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCN(C)CCc1cn(C(=O)OCCN2CCCCC23COC3)c2ccccc12
InChIInChI=1S/C22H31N3O3/c1-23(2)12-9-18-15-25(20-8-4-3-7-19(18)20)21(26)28-14-13-24-11-6-5-10-22(24)16-27-17-22/h3-4,7-8,15H,5-6,9-14,16-17H2,1-2H3
InChIKeyCBKJQYXWJOMFQY-UHFFFAOYSA-N
XLogP2.98
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate with MolForge

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Related Compounds

butane;ethane;2-morpholin-4-ylethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467522
oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467234
2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine
CID 166467720
(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467441
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467776
6-[[3-[2-(dimethylamino)ethyl]indole-1-carbonyl]oxymethoxy]-6-oxohexanoic acid
CID 166467624
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
propan-2-yloxycarbonyl 3-[2-(dimethylamino)ethyl]indole-1-carboperoxoate
CID 166467483
[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 166467266
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467519

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The IUPAC name of 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (CID 166467537) is 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.
What is the SMILES notation for 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The canonical SMILES for 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is CN(C)CCc1cn(C(=O)OCCN2CCCCC23COC3)c2ccccc12.
What is the InChIKey of 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The InChIKey is CBKJQYXWJOMFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-23(2)12-9-18-15-25(20-8-4-3-7-19(18)20)21(26)28-14-13-24-11-6-5-10-22(24)16-27-17-22/h3-4,7-8,15H,5-6,9-14,16-17H2,1-2H3.
What are the key properties of 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate has a molecular weight of 385.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is sourced from PubChem (CID 166467537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).