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

C16H25BrClN3O — CID 119920700

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(C(C)N)CC2)ccc1Br.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-11-9-14(3-4-15(11)17)19-16(21)10-20-7-5-13(6-8-20)12(2)18;/h3-4,9,12-13H,5-8,10,18H2,1-2H3,(H,19,21);1H
InChIKeyQDFLOBOEUFGFSG-UHFFFAOYSA-N
MW390.75 g/mol
LogP3.18
Rot. Bonds4

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

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride (PubChem CID 119920700) has the molecular formula C16H25BrClN3O and a molecular weight of 390.75 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
PubChem CID119920700
Molecular FormulaC16H25BrClN3O
Molecular Weight390.75 g/mol
Exact Mass389.09
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(C(C)N)CC2)ccc1Br.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-11-9-14(3-4-15(11)17)19-16(21)10-20-7-5-13(6-8-20)12(2)18;/h3-4,9,12-13H,5-8,10,18H2,1-2H3,(H,19,21);1H
InChIKeyQDFLOBOEUFGFSG-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-3-methylphenyl)acetamide;hydrochloride
CID 119925570
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63595023
N-[1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37466938
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119920938
N-(4-bromo-3-methylphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495521
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride (CID 119920700) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride is Cc1cc(NC(=O)CN2CCC(C(C)N)CC2)ccc1Br.Cl.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride?
The InChIKey is QDFLOBOEUFGFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O.ClH/c1-11-9-14(3-4-15(11)17)19-16(21)10-20-7-5-13(6-8-20)12(2)18;/h3-4,9,12-13H,5-8,10,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-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-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119920700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).