[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

C16H18BrN3O2 — CID 133360859

IUPAC[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ncc(Br)cc3C)CC2)o1
InChIInChI=1S/C16H18BrN3O2/c1-11-9-13(17)10-18-15(11)19-5-7-20(8-6-19)16(21)14-4-3-12(2)22-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyNHDMELXDDROOLN-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.02
Rot. Bonds2

About [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 133360859) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID133360859
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ncc(Br)cc3C)CC2)o1
InChIInChI=1S/C16H18BrN3O2/c1-11-9-13(17)10-18-15(11)19-5-7-20(8-6-19)16(21)14-4-3-12(2)22-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyNHDMELXDDROOLN-UHFFFAOYSA-N
XLogP3.02
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133359775
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 133373263
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
1-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 133373725
benzyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 102257694
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43461990
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 67381229
2-methylpropyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 133360706
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133360498
5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133279903
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896003

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone (CID 133360859) is [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCN(c3ncc(Br)cc3C)CC2)o1.
What is the InChIKey of [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is NHDMELXDDROOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-11-9-13(17)10-18-15(11)19-5-7-20(8-6-19)16(21)14-4-3-12(2)22-14/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 364.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 133360859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).