2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone

C11H15N3O2 — CID 82509337

IUPAC2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
SMILESO=C(C(O)c1cccnc1)N1CCNCC1
InChIInChI=1S/C11H15N3O2/c15-10(9-2-1-3-13-8-9)11(16)14-6-4-12-5-7-14/h1-3,8,10,12,15H,4-7H2
InChIKeyKECMDRIXGJSMSE-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.45
Rot. Bonds2

About 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone

2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone (PubChem CID 82509337) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
PubChem CID82509337
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
SMILESO=C(C(O)c1cccnc1)N1CCNCC1
InChIInChI=1S/C11H15N3O2/c15-10(9-2-1-3-13-8-9)11(16)14-6-4-12-5-7-14/h1-3,8,10,12,15H,4-7H2
InChIKeyKECMDRIXGJSMSE-UHFFFAOYSA-N
XLogP-0.45
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 169423845
1-(1,4-diazepan-1-yl)-2-methyl-3-pyridin-3-ylpropan-1-one
CID 82086571
1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol
CID 82286657
2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 136565944
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one
CID 82509276
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
sodium 2-hydroxy-2-pyridin-3-ylacetate
CID 159760700
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone?
The IUPAC name of 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone (CID 82509337) is 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone.
What is the SMILES notation for 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone?
The canonical SMILES for 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone is O=C(C(O)c1cccnc1)N1CCNCC1.
What is the InChIKey of 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone?
The InChIKey is KECMDRIXGJSMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10(9-2-1-3-13-8-9)11(16)14-6-4-12-5-7-14/h1-3,8,10,12,15H,4-7H2.
What are the key properties of 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone?
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone has a molecular weight of 221.26 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone is sourced from PubChem (CID 82509337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).