2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone

C18H18BrN3O2 — CID 108924441

IUPAC2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Br)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H18BrN3O2/c19-16-6-2-1-4-14(16)12-17(23)21-8-10-22(11-9-21)18(24)15-5-3-7-20-13-15/h1-7,13H,8-12H2
InChIKeyMBEPXKOMDZGIAJ-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.37
Rot. Bonds3

About 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone

2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 108924441) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID108924441
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Br)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H18BrN3O2/c19-16-6-2-1-4-14(16)12-17(23)21-8-10-22(11-9-21)18(24)15-5-3-7-20-13-15/h1-7,13H,8-12H2
InChIKeyMBEPXKOMDZGIAJ-UHFFFAOYSA-N
XLogP2.37
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798857
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
[3-[4-[2-(2-bromophenyl)acetyl]piperazine-1-carbonyl]phenyl] acetate
CID 108926757
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 110798609
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone (CID 108924441) is 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1Br)N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MBEPXKOMDZGIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c19-16-6-2-1-4-14(16)12-17(23)21-8-10-22(11-9-21)18(24)15-5-3-7-20-13-15/h1-7,13H,8-12H2.
What are the key properties of 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 388.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108924441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).