3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one

C24H34N2O4 — CID 154579718

IUPAC3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(CCC(=O)N3CCOCC3)C3(CCC3)C2)cc1
InChIInChI=1S/C24H34N2O4/c1-29-21-7-3-19(4-8-21)5-9-23(28)26-17-20(24(18-26)11-2-12-24)6-10-22(27)25-13-15-30-16-14-25/h3-4,7-8,20H,2,5-6,9-18H2,1H3
InChIKeyORKQYJSCYQOZOY-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.90
Rot. Bonds7

About 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one

3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 154579718) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID154579718
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(CCC(=O)N3CCOCC3)C3(CCC3)C2)cc1
InChIInChI=1S/C24H34N2O4/c1-29-21-7-3-19(4-8-21)5-9-23(28)26-17-20(24(18-26)11-2-12-24)6-10-22(27)25-13-15-30-16-14-25/h3-4,7-8,20H,2,5-6,9-18H2,1H3
InChIKeyORKQYJSCYQOZOY-UHFFFAOYSA-N
XLogP2.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
CID 154579572
3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579700
3-[6-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579681
2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924936
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(4-methoxyphenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 71805673
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
4-(4-methoxyphenyl)-1-(2-sulfanylmorpholin-4-yl)butan-1-one
CID 176715120
3-cyclohexyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 154579640

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one (CID 154579718) is 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one is COc1ccc(CCC(=O)N2CC(CCC(=O)N3CCOCC3)C3(CCC3)C2)cc1.
What is the InChIKey of 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ORKQYJSCYQOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-29-21-7-3-19(4-8-21)5-9-23(28)26-17-20(24(18-26)11-2-12-24)6-10-22(27)25-13-15-30-16-14-25/h3-4,7-8,20H,2,5-6,9-18H2,1H3.
What are the key properties of 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one?
3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 414.55 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 154579718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).