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2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride

C15H23BrClN3O — CID 120775821

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
SMILESCC1(C)CN(CC(=O)Nc2ccc(Br)cc2)CCC1N.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-15(2)10-19(8-7-13(15)17)9-14(20)18-12-5-3-11(16)4-6-12;/h3-6,13H,7-10,17H2,1-2H3,(H,18,20);1H
InChIKeyMXFCFCGJJWXOJH-UHFFFAOYSA-N
MW376.73 g/mol
LogP2.87
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride (PubChem CID 120775821) has the molecular formula C15H23BrClN3O and a molecular weight of 376.73 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
PubChem CID120775821
Molecular FormulaC15H23BrClN3O
Molecular Weight376.73 g/mol
Exact Mass375.07
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
SMILESCC1(C)CN(CC(=O)Nc2ccc(Br)cc2)CCC1N.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-15(2)10-19(8-7-13(15)17)9-14(20)18-12-5-3-11(16)4-6-12;/h3-6,13H,7-10,17H2,1-2H3,(H,18,20);1H
InChIKeyMXFCFCGJJWXOJH-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.73
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride (CID 120775821) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride is CC1(C)CN(CC(=O)Nc2ccc(Br)cc2)CCC1N.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride?
The InChIKey is MXFCFCGJJWXOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O.ClH/c1-15(2)10-19(8-7-13(15)17)9-14(20)18-12-5-3-11(16)4-6-12;/h3-6,13H,7-10,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride has a molecular weight of 376.73 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120775821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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