2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide

C16H24BrN3O — CID 66472599

IUPAC2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C16H24BrN3O/c1-12-9-13(3-4-15(12)17)10-19-14-5-7-20(8-6-14)11-16(21)18-2/h3-4,9,14,19H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyDYGMVFAGFONMNW-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.06
Rot. Bonds5

About 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 66472599) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID66472599
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C16H24BrN3O/c1-12-9-13(3-4-15(12)17)10-19-14-5-7-20(8-6-14)11-16(21)18-2/h3-4,9,14,19H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyDYGMVFAGFONMNW-UHFFFAOYSA-N
XLogP2.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide 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-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
2-[4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 102832453
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 119121844
2-[4-[(4-bromo-3-chlorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103581535
N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412
N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide
CID 119128408
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
N-[1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37466938
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 32525655

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide (CID 66472599) is 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2ccc(Br)c(C)c2)CC1.
What is the InChIKey of 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is DYGMVFAGFONMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-12-9-13(3-4-15(12)17)10-19-14-5-7-20(8-6-14)11-16(21)18-2/h3-4,9,14,19H,5-8,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 354.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 66472599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).