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

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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).