1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one

C15H20BrClN2O — CID 104725316

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(c2cc(Cl)c(C)cc2Br)C1=O
InChIInChI=1S/C15H20BrClN2O/c1-3-6-18-13-5-4-7-19(15(13)20)14-9-12(17)10(2)8-11(14)16/h8-9,13,18H,3-7H2,1-2H3
InChIKeyJNJGLANGPLRTFN-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.91
Rot. Bonds4

About 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one

1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one (PubChem CID 104725316) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one
PubChem CID104725316
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(c2cc(Cl)c(C)cc2Br)C1=O
InChIInChI=1S/C15H20BrClN2O/c1-3-6-18-13-5-4-7-19(15(13)20)14-9-12(17)10(2)8-11(14)16/h8-9,13,18H,3-7H2,1-2H3
InChIKeyJNJGLANGPLRTFN-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one (CID 104725316) is 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one is CCCNC1CCCN(c2cc(Cl)c(C)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one?
The InChIKey is JNJGLANGPLRTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-3-6-18-13-5-4-7-19(15(13)20)14-9-12(17)10(2)8-11(14)16/h8-9,13,18H,3-7H2,1-2H3.
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one?
1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one has a molecular weight of 359.70 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 104725316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).