2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride

C14H23BrCl2N4O — CID 120728422

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride
SMILESCl.Cl.NCCC1CCCN(CC(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C14H21BrN4O.2ClH/c15-12-3-4-13(17-8-12)18-14(20)10-19-7-1-2-11(9-19)5-6-16;;/h3-4,8,11H,1-2,5-7,9-10,16H2,(H,17,18,20);2*1H
InChIKeyIQINAOZIMOKYMF-UHFFFAOYSA-N
MW414.18 g/mol
LogP2.69
Rot. Bonds5

About 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride (PubChem CID 120728422) has the molecular formula C14H23BrCl2N4O and a molecular weight of 414.18 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride
PubChem CID120728422
Molecular FormulaC14H23BrCl2N4O
Molecular Weight414.18 g/mol
Exact Mass412.04
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride
SMILESCl.Cl.NCCC1CCCN(CC(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C14H21BrN4O.2ClH/c15-12-3-4-13(17-8-12)18-14(20)10-19-7-1-2-11(9-19)5-6-16;;/h3-4,8,11H,1-2,5-7,9-10,16H2,(H,17,18,20);2*1H
InChIKeyIQINAOZIMOKYMF-UHFFFAOYSA-N
XLogP2.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.18
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone;dihydrochloride
CID 120727576
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
CID 120728365
2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 79994575
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
N-(4-bromo-2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62358331
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120728492
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 120728107
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63312780

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride (CID 120728422) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride is Cl.Cl.NCCC1CCCN(CC(=O)Nc2ccc(Br)cn2)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride?
The InChIKey is IQINAOZIMOKYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O.2ClH/c15-12-3-4-13(17-8-12)18-14(20)10-19-7-1-2-11(9-19)5-6-16;;/h3-4,8,11H,1-2,5-7,9-10,16H2,(H,17,18,20);2*1H.
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride has a molecular weight of 414.18 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride is sourced from PubChem (CID 120728422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).