2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone

C17H24N2O — CID 119805305

IUPAC2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone
SMILESNc1ccc(CC(=O)N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H24N2O/c18-15-6-4-14(5-7-15)12-16(20)19-11-10-17(13-19)8-2-1-3-9-17/h4-7H,1-3,8-13,18H2
InChIKeyHOXOMIZSMSMZHY-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.99
Rot. Bonds2

About 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone

2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone (PubChem CID 119805305) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone
PubChem CID119805305
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone
SMILESNc1ccc(CC(=O)N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H24N2O/c18-15-6-4-14(5-7-15)12-16(20)19-11-10-17(13-19)8-2-1-3-9-17/h4-7H,1-3,8-13,18H2
InChIKeyHOXOMIZSMSMZHY-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone 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

2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734675
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
1-(2-azaspiro[4.5]decan-2-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633604
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
CID 82038211
2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone
CID 119791955
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
2-(4-aminophenyl)-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone;hydrochloride
CID 119807902
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone
CID 82038156
2-(4-aminophenyl)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119836881
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone (CID 119805305) is 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone is Nc1ccc(CC(=O)N2CCC3(CCCCC3)C2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone?
The InChIKey is HOXOMIZSMSMZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-15-6-4-14(5-7-15)12-16(20)19-11-10-17(13-19)8-2-1-3-9-17/h4-7H,1-3,8-13,18H2.
What are the key properties of 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone?
2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone is sourced from PubChem (CID 119805305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).