3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

C23H32N2O2 — CID 154579700

IUPAC3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(CC(=O)N2CC(CCC(=O)N3CCCC3)C3(CCC3)C2)cc1
InChIInChI=1S/C23H32N2O2/c1-18-5-7-19(8-6-18)15-22(27)25-16-20(23(17-25)11-4-12-23)9-10-21(26)24-13-2-3-14-24/h5-8,20H,2-4,9-17H2,1H3
InChIKeyUUHKPGCNGNXGPJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.57
Rot. Bonds5

About 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 154579700) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID154579700
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(CC(=O)N2CC(CCC(=O)N3CCCC3)C3(CCC3)C2)cc1
InChIInChI=1S/C23H32N2O2/c1-18-5-7-19(8-6-18)15-22(27)25-16-20(23(17-25)11-4-12-23)9-10-21(26)24-13-2-3-14-24/h5-8,20H,2-4,9-17H2,1H3
InChIKeyUUHKPGCNGNXGPJ-UHFFFAOYSA-N
XLogP3.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]pentan-1-one
CID 154579649
3-cyclohexyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 154579640
3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579662
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
1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666254
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-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 111432626
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119314460
2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077627
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 154579700) is 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(CC(=O)N2CC(CCC(=O)N3CCCC3)C3(CCC3)C2)cc1.
What is the InChIKey of 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UUHKPGCNGNXGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-18-5-7-19(8-6-18)15-22(27)25-16-20(23(17-25)11-4-12-23)9-10-21(26)24-13-2-3-14-24/h5-8,20H,2-4,9-17H2,1H3.
What are the key properties of 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 368.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 154579700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).