(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C16H15BrFN3O — CID 120729585

IUPAC(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H15BrFN3O/c17-13-8-11(3-4-14(13)18)16(22)21-7-6-20-10-15(21)12-2-1-5-19-9-12/h1-5,8-9,15,20H,6-7,10H2
InChIKeyHMBNGFPERJMYGM-UHFFFAOYSA-N
MW364.22 g/mol
LogP2.77
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120729585) has the molecular formula C16H15BrFN3O and a molecular weight of 364.22 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120729585
Molecular FormulaC16H15BrFN3O
Molecular Weight364.22 g/mol
Exact Mass363.04
IUPAC Name(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H15BrFN3O/c17-13-8-11(3-4-14(13)18)16(22)21-7-6-20-10-15(21)12-2-1-5-19-9-12/h1-5,8-9,15,20H,6-7,10H2
InChIKeyHMBNGFPERJMYGM-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
[4-fluoro-3-(methylsulfanylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730890
(3-chloro-5-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731063
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(4-bromothiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731046
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731899
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120729585) is (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is O=C(c1ccc(F)c(Br)c1)N1CCNCC1c1cccnc1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is HMBNGFPERJMYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O/c17-13-8-11(3-4-14(13)18)16(22)21-7-6-20-10-15(21)12-2-1-5-19-9-12/h1-5,8-9,15,20H,6-7,10H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 364.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120729585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).