2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride

C16H25BrClN3O — CID 119925366

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CN1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-11-8-14(17)5-6-15(11)19-16(21)10-20-7-3-4-13(9-20)12(2)18;/h5-6,8,12-13H,3-4,7,9-10,18H2,1-2H3,(H,19,21);1H
InChIKeyXFPNBQWXLOSYPO-UHFFFAOYSA-N
MW390.75 g/mol
LogP3.18
Rot. Bonds4

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride (PubChem CID 119925366) has the molecular formula C16H25BrClN3O and a molecular weight of 390.75 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride
PubChem CID119925366
Molecular FormulaC16H25BrClN3O
Molecular Weight390.75 g/mol
Exact Mass389.09
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CN1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-11-8-14(17)5-6-15(11)19-16(21)10-20-7-3-4-13(9-20)12(2)18;/h5-6,8,12-13H,3-4,7,9-10,18H2,1-2H3,(H,19,21);1H
InChIKeyXFPNBQWXLOSYPO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride
CID 119925697
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119925570
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide;hydrochloride
CID 119925580
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119925484
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide;hydrochloride
CID 119925776
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
N-(4-bromo-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898013
2-[[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 11940434
N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086253
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119920700
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide;hydrochloride
CID 119925543

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride (CID 119925366) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride is Cc1cc(Br)ccc1NC(=O)CN1CCCC(C(C)N)C1.Cl.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride?
The InChIKey is XFPNBQWXLOSYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O.ClH/c1-11-8-14(17)5-6-15(11)19-16(21)10-20-7-3-4-13(9-20)12(2)18;/h5-6,8,12-13H,3-4,7,9-10,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride has a molecular weight of 390.75 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119925366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).