N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

C17H20BrClN4O — CID 120754684

IUPACN-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN4O.ClH/c18-14-5-1-2-6-15(14)21-17(23)12-22-9-8-20-11-16(22)13-4-3-7-19-10-13;/h1-7,10,16,20H,8-9,11-12H2,(H,21,23);1H
InChIKeyXCTOWWYOKSCNOJ-UHFFFAOYSA-N
MW411.73 g/mol
LogP2.85
Rot. Bonds4

About N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120754684) has the molecular formula C17H20BrClN4O and a molecular weight of 411.73 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120754684
Molecular FormulaC17H20BrClN4O
Molecular Weight411.73 g/mol
Exact Mass410.05
IUPAC NameN-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN4O.ClH/c18-14-5-1-2-6-15(14)21-17(23)12-22-9-8-20-11-16(22)13-4-3-7-19-10-13;/h1-7,10,16,20H,8-9,11-12H2,(H,21,23);1H
InChIKeyXCTOWWYOKSCNOJ-UHFFFAOYSA-N
XLogP2.85
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.73
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525
N-(2,3-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754934
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755163
N-(2-chloro-4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754763
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120754684) is N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccnc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is XCTOWWYOKSCNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O.ClH/c18-14-5-1-2-6-15(14)21-17(23)12-22-9-8-20-11-16(22)13-4-3-7-19-10-13;/h1-7,10,16,20H,8-9,11-12H2,(H,21,23);1H.
What are the key properties of N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 411.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120754684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).