2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one

C16H20BrNO2 — CID 67479314

IUPAC2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCOc1cc(Br)ccc1N1CCC2(CCCCC2)C1=O
InChIInChI=1S/C16H20BrNO2/c1-20-14-11-12(17)5-6-13(14)18-10-9-16(15(18)19)7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyNQWUPGARXFISTF-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.14
Rot. Bonds2

About 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one

2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 67479314) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID67479314
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCOc1cc(Br)ccc1N1CCC2(CCCCC2)C1=O
InChIInChI=1S/C16H20BrNO2/c1-20-14-11-12(17)5-6-13(14)18-10-9-16(15(18)19)7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyNQWUPGARXFISTF-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-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

2-(4-Bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile
CID 3301345
5-(4-Bromo-phenyl)-1-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidin-2-one
CID 10599950
2-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 11653899
2-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.7]dodecane-1,3-dione
CID 12840724
2-(4-Bromophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 1344876
N-[4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-phenylbutanamide
CID 90385247
3-[(4-Fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 130404549
(3S)-3-[2-(4-fluorophenyl)acetyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 163695982
N-[4-bromo-2-(difluoromethoxy)phenyl]-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 167456139
N-[4-bromo-2-(difluoromethoxy)phenyl]-1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 167456242
1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122111
1-(4-Bromo-2-methoxyphenyl)-2-pyrrolidinone
CID 129789885

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one (CID 67479314) is 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one is COc1cc(Br)ccc1N1CCC2(CCCCC2)C1=O.
What is the InChIKey of 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is NQWUPGARXFISTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-20-14-11-12(17)5-6-13(14)18-10-9-16(15(18)19)7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one?
2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 338.25 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 67479314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).