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

C16H25BrClN3O — CID 120774162

IUPAC3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride
SMILESCC1(C)CN(CCC(=O)Nc2ccc(Br)cc2)CCC1N.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-16(2)11-20(9-7-14(16)18)10-8-15(21)19-13-5-3-12(17)4-6-13;/h3-6,14H,7-11,18H2,1-2H3,(H,19,21);1H
InChIKeyZWMAZLYSAMAEIM-UHFFFAOYSA-N
MW390.75 g/mol
LogP3.26
Rot. Bonds4

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

3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride (PubChem CID 120774162) has the molecular formula C16H25BrClN3O and a molecular weight of 390.75 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride
PubChem CID120774162
Molecular FormulaC16H25BrClN3O
Molecular Weight390.75 g/mol
Exact Mass389.09
IUPAC Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride
SMILESCC1(C)CN(CCC(=O)Nc2ccc(Br)cc2)CCC1N.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-16(2)11-20(9-7-14(16)18)10-8-15(21)19-13-5-3-12(17)4-6-13;/h3-6,14H,7-11,18H2,1-2H3,(H,19,21);1H
InChIKeyZWMAZLYSAMAEIM-UHFFFAOYSA-N
XLogP3.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride 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-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide
CID 120776246
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 120774509
ethyl 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 1149589
4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride
CID 120775335
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopentylpropanamide
CID 120775513
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 120776678
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide;hydrochloride
CID 120774908
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 120775993
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 120775379
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide;hydrochloride
CID 120774538

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride (CID 120774162) is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride is CC1(C)CN(CCC(=O)Nc2ccc(Br)cc2)CCC1N.Cl.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride?
The InChIKey is ZWMAZLYSAMAEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O.ClH/c1-16(2)11-20(9-7-14(16)18)10-8-15(21)19-13-5-3-12(17)4-6-13;/h3-6,14H,7-11,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride?
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride has a molecular weight of 390.75 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 120774162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).