5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one

C13H19BrN2OS — CID 102844670

IUPAC5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one
SMILESCCCN1C(=O)CCC(N)C1c1cc(Br)c(C)s1
InChIInChI=1S/C13H19BrN2OS/c1-3-6-16-12(17)5-4-10(15)13(16)11-7-9(14)8(2)18-11/h7,10,13H,3-6,15H2,1-2H3
InChIKeyFWNUERLTCXHROL-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.22
Rot. Bonds3

About 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one

5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one (PubChem CID 102844670) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one
PubChem CID102844670
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one
SMILESCCCN1C(=O)CCC(N)C1c1cc(Br)c(C)s1
InChIInChI=1S/C13H19BrN2OS/c1-3-6-16-12(17)5-4-10(15)13(16)11-7-9(14)8(2)18-11/h7,10,13H,3-6,15H2,1-2H3
InChIKeyFWNUERLTCXHROL-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-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

6-amino-7-(3-bromo-4-methylphenyl)-1-propylazepan-2-one
CID 105411529
5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one
CID 104818740
2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
CID 102844737
2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
CID 102844765
5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 102838029
5-amino-6-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-2-one
CID 81441259
6-amino-1-tert-butyl-7-(4,5-dibromothiophen-2-yl)azepan-2-one
CID 102844711
4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one
CID 102844665
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 102844551
5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
CID 79978123

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one?
The IUPAC name of 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one (CID 102844670) is 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one is CCCN1C(=O)CCC(N)C1c1cc(Br)c(C)s1.
What is the InChIKey of 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one?
The InChIKey is FWNUERLTCXHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-3-6-16-12(17)5-4-10(15)13(16)11-7-9(14)8(2)18-11/h7,10,13H,3-6,15H2,1-2H3.
What are the key properties of 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one?
5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one has a molecular weight of 331.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one is sourced from PubChem (CID 102844670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).