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

C15H22BrCl2N3O — CID 119925697

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride
SMILESCC(N)C1CCCN(CC(=O)Nc2ccc(Br)cc2Cl)C1.Cl
InChIInChI=1S/C15H21BrClN3O.ClH/c1-10(18)11-3-2-6-20(8-11)9-15(21)19-14-5-4-12(16)7-13(14)17;/h4-5,7,10-11H,2-3,6,8-9,18H2,1H3,(H,19,21);1H
InChIKeyVZGJDRITWGGOQO-UHFFFAOYSA-N
MW411.17 g/mol
LogP3.52
Rot. Bonds4

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

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride (PubChem CID 119925697) has the molecular formula C15H22BrCl2N3O and a molecular weight of 411.17 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride
PubChem CID119925697
Molecular FormulaC15H22BrCl2N3O
Molecular Weight411.17 g/mol
Exact Mass409.03
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride
SMILESCC(N)C1CCCN(CC(=O)Nc2ccc(Br)cc2Cl)C1.Cl
InChIInChI=1S/C15H21BrClN3O.ClH/c1-10(18)11-3-2-6-20(8-11)9-15(21)19-14-5-4-12(16)7-13(14)17;/h4-5,7,10-11H,2-3,6,8-9,18H2,1H3,(H,19,21);1H
InChIKeyVZGJDRITWGGOQO-UHFFFAOYSA-N
XLogP3.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.17
LogP ≤ 53.52
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-methylphenyl)acetamide;hydrochloride
CID 119925366
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-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119925570
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide;hydrochloride
CID 119925580
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 81493975
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 115969224
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride (CID 119925697) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride is CC(N)C1CCCN(CC(=O)Nc2ccc(Br)cc2Cl)C1.Cl.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride?
The InChIKey is VZGJDRITWGGOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3O.ClH/c1-10(18)11-3-2-6-20(8-11)9-15(21)19-14-5-4-12(16)7-13(14)17;/h4-5,7,10-11H,2-3,6,8-9,18H2,1H3,(H,19,21);1H.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride has a molecular weight of 411.17 g/mol, XLogP of 3.52, 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-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119925697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).