6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane

C18H22N2O2 — CID 162389144

IUPAC6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1ccc2c(ccn2C2CC(N3CC4(COC4)C3)C2)c1
InChIInChI=1S/C18H22N2O2/c1-21-16-2-3-17-13(6-16)4-5-20(17)15-7-14(8-15)19-9-18(10-19)11-22-12-18/h2-6,14-15H,7-12H2,1H3
InChIKeyDITGSBFSYCCKPY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.69
Rot. Bonds3

About 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane

6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 162389144) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID162389144
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1ccc2c(ccn2C2CC(N3CC4(COC4)C3)C2)c1
InChIInChI=1S/C18H22N2O2/c1-21-16-2-3-17-13(6-16)4-5-20(17)15-7-14(8-15)19-9-18(10-19)11-22-12-18/h2-6,14-15H,7-12H2,1H3
InChIKeyDITGSBFSYCCKPY-UHFFFAOYSA-N
XLogP2.69
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane (CID 162389144) is 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane is COc1ccc2c(ccn2C2CC(N3CC4(COC4)C3)C2)c1.
What is the InChIKey of 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is DITGSBFSYCCKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-21-16-2-3-17-13(6-16)4-5-20(17)15-7-14(8-15)19-9-18(10-19)11-22-12-18/h2-6,14-15H,7-12H2,1H3.
What are the key properties of 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane?
6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 298.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-methoxyindol-1-yl)cyclobutyl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 162389144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).