3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

C16H24BrClN2O — CID 120600380

IUPAC3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCc1cc(CCC(=O)NC2CCNC(C)C2)ccc1Br.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-11-9-13(3-5-15(11)17)4-6-16(20)19-14-7-8-18-12(2)10-14;/h3,5,9,12,14,18H,4,6-8,10H2,1-2H3,(H,19,20);1H
InChIKeyNDTKQMRJLGYULY-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.37
Rot. Bonds4

About 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120600380) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120600380
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC Name3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCc1cc(CCC(=O)NC2CCNC(C)C2)ccc1Br.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-11-9-13(3-5-15(11)17)4-6-16(20)19-14-7-8-18-12(2)10-14;/h3,5,9,12,14,18H,4,6-8,10H2,1-2H3,(H,19,20);1H
InChIKeyNDTKQMRJLGYULY-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[3-(4-bromo-3-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676009
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide
CID 119456815
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
CID 120601265
N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 120599611
3-(furan-2-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995480

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120600380) is 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is Cc1cc(CCC(=O)NC2CCNC(C)C2)ccc1Br.Cl.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is NDTKQMRJLGYULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-11-9-13(3-5-15(11)17)4-6-16(20)19-14-7-8-18-12(2)10-14;/h3,5,9,12,14,18H,4,6-8,10H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120600380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).