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

C23H32N2O3 — CID 154579572

IUPAC3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(=O)N2CC(CCC(=O)N3CCOCC3)C3(CCC3)C2)cc1C
InChIInChI=1S/C23H32N2O3/c1-17-4-5-19(14-18(17)2)22(27)25-15-20(23(16-25)8-3-9-23)6-7-21(26)24-10-12-28-13-11-24/h4-5,14,20H,3,6-13,15-16H2,1-2H3
InChIKeyHRKHVPXULFNPCA-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.18
Rot. Bonds4

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

3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 154579572) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID154579572
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(=O)N2CC(CCC(=O)N3CCOCC3)C3(CCC3)C2)cc1C
InChIInChI=1S/C23H32N2O3/c1-17-4-5-19(14-18(17)2)22(27)25-15-20(23(16-25)8-3-9-23)6-7-21(26)24-10-12-28-13-11-24/h4-5,14,20H,3,6-13,15-16H2,1-2H3
InChIKeyHRKHVPXULFNPCA-UHFFFAOYSA-N
XLogP3.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-[6-(3-methoxybenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579632
3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
CID 154579718
3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579670
3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579662
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one
CID 154579691
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
3-cyclohexyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 154579640
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
3-[6-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579681
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108535246
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one (CID 154579572) is 3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one is Cc1ccc(C(=O)N2CC(CCC(=O)N3CCOCC3)C3(CCC3)C2)cc1C.
What is the InChIKey of 3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HRKHVPXULFNPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-4-5-19(14-18(17)2)22(27)25-15-20(23(16-25)8-3-9-23)6-7-21(26)24-10-12-28-13-11-24/h4-5,14,20H,3,6-13,15-16H2,1-2H3.
What are the key properties of 3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one?
3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 384.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,4-dimethylbenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 154579572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).