1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone

C18H20BrN3O2 — CID 23438649

IUPAC1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)C1CNCCN1c1ccc(Br)cn1
InChIInChI=1S/C18H20BrN3O2/c19-15-6-7-18(21-10-15)22-9-8-20-11-16(22)17(23)13-24-12-14-4-2-1-3-5-14/h1-7,10,16,20H,8-9,11-13H2
InChIKeyQHBWQLNLCIPICT-UHFFFAOYSA-N
MW390.28 g/mol
LogP2.41
Rot. Bonds6

About 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone

1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone (PubChem CID 23438649) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone
PubChem CID23438649
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)C1CNCCN1c1ccc(Br)cn1
InChIInChI=1S/C18H20BrN3O2/c19-15-6-7-18(21-10-15)22-9-8-20-11-16(22)17(23)13-24-12-14-4-2-1-3-5-14/h1-7,10,16,20H,8-9,11-13H2
InChIKeyQHBWQLNLCIPICT-UHFFFAOYSA-N
XLogP2.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 106504446
1-(1-pyridin-2-ylpiperazin-2-yl)ethanone
CID 157170739
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
methyl 1-benzylpiperazine-2-carboxylate
CID 22721935
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-phenylmethoxyethanone
CID 50976391
1-[2-(5-bromo-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-phenylpropan-1-one
CID 165435761
methyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487359
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
5-bromo-N-phenylmethoxypyridine-2-carboxamide
CID 62998593
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-phenylmethoxyethanone
CID 120656792
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002
benzyl 4-(5-bromopyridine-2-carbonyl)piperidine-1-carboxylate
CID 23627077

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone (CID 23438649) is 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)C1CNCCN1c1ccc(Br)cn1.
What is the InChIKey of 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone?
The InChIKey is QHBWQLNLCIPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c19-15-6-7-18(21-10-15)22-9-8-20-11-16(22)17(23)13-24-12-14-4-2-1-3-5-14/h1-7,10,16,20H,8-9,11-13H2.
What are the key properties of 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone?
1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone has a molecular weight of 390.28 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 23438649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).