3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one

C12H15BrN2O2 — CID 82861131

IUPAC3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one
SMILESCOc1cc(N2CCCC(N)C2=O)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-17-11-7-8(4-5-9(11)13)15-6-2-3-10(14)12(15)16/h4-5,7,10H,2-3,6,14H2,1H3
InChIKeyBIJBLSNEEXKJDG-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.91
Rot. Bonds2

About 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one

3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one (PubChem CID 82861131) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one
PubChem CID82861131
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one
SMILESCOc1cc(N2CCCC(N)C2=O)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-17-11-7-8(4-5-9(11)13)15-6-2-3-10(14)12(15)16/h4-5,7,10H,2-3,6,14H2,1H3
InChIKeyBIJBLSNEEXKJDG-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-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

3-amino-1-(4-bromophenyl)piperidin-2-one
CID 22313458
3-amino-1-(4-bromo-3-nitrophenyl)piperidin-2-one
CID 79768098
2-(4-bromo-3-methoxyphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 82859125
(3R)-3-amino-1-[4-(4,4-dimethylpiperidin-1-yl)phenyl]piperidin-2-one
CID 154971451
3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one
CID 82756909
3-amino-1-phenylazepan-2-one
CID 59657864
3-amino-1-thiophen-3-ylpiperidin-2-one
CID 66355839
2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
CID 170557126
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
3-amino-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
CID 107579725
methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate
CID 142835055
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one?
The IUPAC name of 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one (CID 82861131) is 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one is COc1cc(N2CCCC(N)C2=O)ccc1Br.
What is the InChIKey of 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one?
The InChIKey is BIJBLSNEEXKJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-17-11-7-8(4-5-9(11)13)15-6-2-3-10(14)12(15)16/h4-5,7,10H,2-3,6,14H2,1H3.
What are the key properties of 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one?
3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one has a molecular weight of 299.17 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-3-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 82861131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).