2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

C17H19N3O2 — CID 110879969

IUPAC2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESO=C(C(O)c1ccccc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H19N3O2/c21-16(14-4-2-1-3-5-14)17(22)20-12-10-19(11-13-20)15-6-8-18-9-7-15/h1-9,16,21H,10-13H2
InChIKeyVHPGEUVJXJCBGT-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.46
Rot. Bonds3

About 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone (PubChem CID 110879969) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
PubChem CID110879969
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESO=C(C(O)c1ccccc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H19N3O2/c21-16(14-4-2-1-3-5-14)17(22)20-12-10-19(11-13-20)15-6-8-18-9-7-15/h1-9,16,21H,10-13H2
InChIKeyVHPGEUVJXJCBGT-UHFFFAOYSA-N
XLogP1.46
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 97193821
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
(E)-3-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 9048300
6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175856125
5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 66755447
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 9254602
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone (CID 110879969) is 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone is O=C(C(O)c1ccccc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is VHPGEUVJXJCBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(14-4-2-1-3-5-14)17(22)20-12-10-19(11-13-20)15-6-8-18-9-7-15/h1-9,16,21H,10-13H2.
What are the key properties of 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 297.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110879969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).