2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone

C19H24N4O2 — CID 155882152

IUPAC2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CC(c3nncn3C)C3(CCC3)C2)c1
InChIInChI=1S/C19H24N4O2/c1-22-13-20-21-18(22)16-11-23(12-19(16)7-4-8-19)17(24)10-14-5-3-6-15(9-14)25-2/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3
InChIKeyBBJHSAAQAJEANU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.16
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone

2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone (PubChem CID 155882152) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone
PubChem CID155882152
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CC(c3nncn3C)C3(CCC3)C2)c1
InChIInChI=1S/C19H24N4O2/c1-22-13-20-21-18(22)16-11-23(12-19(16)7-4-8-19)17(24)10-14-5-3-6-15(9-14)25-2/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3
InChIKeyBBJHSAAQAJEANU-UHFFFAOYSA-N
XLogP2.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(3-methoxyphenyl)ethanone
CID 155882349
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(3-methoxyphenyl)ethanone
CID 146070323
6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579491
2-(4-methoxyphenoxy)-1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 146067712
1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone
CID 146071677
(4-chloro-2-methoxyphenyl)-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 155881850
2-(4-ethoxyphenyl)-1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone
CID 155882188
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(3,5-dimethoxyphenyl)methanone
CID 155882390
1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-methoxyethanone
CID 155882181
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
2-cyclopentyl-5-[2-(3-methoxyphenyl)acetyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 156604502
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone (CID 155882152) is 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone is COc1cccc(CC(=O)N2CC(c3nncn3C)C3(CCC3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The InChIKey is BBJHSAAQAJEANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-13-20-21-18(22)16-11-23(12-19(16)7-4-8-19)17(24)10-14-5-3-6-15(9-14)25-2/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone?
2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone is sourced from PubChem (CID 155882152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).