8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane

C20H28N2O2 — CID 174346769

IUPAC8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCC2(CCC(C)O2)CC1
InChIInChI=1S/C20H28N2O2/c1-14-12-18(23-3)17(16-5-9-21-19(14)16)13-22-10-7-20(8-11-22)6-4-15(2)24-20/h5,9,12,15,21H,4,6-8,10-11,13H2,1-3H3
InChIKeyJKUSJESGVFUHNN-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.02
Rot. Bonds3

About 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane

8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 174346769) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID174346769
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CCC2(CCC(C)O2)CC1
InChIInChI=1S/C20H28N2O2/c1-14-12-18(23-3)17(16-5-9-21-19(14)16)13-22-10-7-20(8-11-22)6-4-15(2)24-20/h5,9,12,15,21H,4,6-8,10-11,13H2,1-3H3
InChIKeyJKUSJESGVFUHNN-UHFFFAOYSA-N
XLogP4.02
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 171840786
8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 174347125
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
CID 170975574
4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166460896
benzoic acid;4-[(4-cyclopropylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 166158520
(7S)-8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-(4-methylsulfanylphenyl)-1-oxa-8-azaspiro[4.5]decane
CID 174347203
5-methoxy-7-methyl-4-(piperazin-1-ylmethyl)-1H-indole;methyl benzoate
CID 166460978
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
CID 131994973
4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole
CID 134382573

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane (CID 174346769) is 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane is COc1cc(C)c2[nH]ccc2c1CN1CCC2(CCC(C)O2)CC1.
What is the InChIKey of 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is JKUSJESGVFUHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-12-18(23-3)17(16-5-9-21-19(14)16)13-22-10-7-20(8-11-22)6-4-15(2)24-20/h5,9,12,15,21H,4,6-8,10-11,13H2,1-3H3.
What are the key properties of 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane?
8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 328.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 174346769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).