3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one

C10H12N2O4 — CID 83891564

IUPAC3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one
SMILESO=C(c1occc(=O)c1O)N1CCNCC1
InChIInChI=1S/C10H12N2O4/c13-7-1-6-16-9(8(7)14)10(15)12-4-2-11-3-5-12/h1,6,11,14H,2-5H2
InChIKeyWJTDWNOMYGLWOG-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.61
Rot. Bonds1

About 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one

3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one (PubChem CID 83891564) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one
PubChem CID83891564
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one
SMILESO=C(c1occc(=O)c1O)N1CCNCC1
InChIInChI=1S/C10H12N2O4/c13-7-1-6-16-9(8(7)14)10(15)12-4-2-11-3-5-12/h1,6,11,14H,2-5H2
InChIKeyWJTDWNOMYGLWOG-UHFFFAOYSA-N
XLogP-0.61
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one 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

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
CID 90672508
2-amino-N-[(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl]Acetamide
CID 21524751
N-ethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide
CID 54748756
2,2'-[Ethane-1,2-diylbis(iminomethanediyl)]bis(5-hydroxy-4h-pyran-4-one)
CID 171127135
4-[(5-Hydroxy-4-oxopyran-2-yl)methyl]piperazine-1-carboxylic acid
CID 17975808
5-hydroxy-2-(piperazin-1-ylmethyl)-4H-pyran-4-one
CID 33679502
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 54696509
N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
CID 54696511
5-Hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one
CID 57629430
N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide
CID 59227357
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron
CID 59283127
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;gadolinium
CID 59283135

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one?
The IUPAC name of 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one (CID 83891564) is 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one is O=C(c1occc(=O)c1O)N1CCNCC1.
What is the InChIKey of 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one?
The InChIKey is WJTDWNOMYGLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7-1-6-16-9(8(7)14)10(15)12-4-2-11-3-5-12/h1,6,11,14H,2-5H2.
What are the key properties of 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one?
3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one has a molecular weight of 224.22 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(piperazine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 83891564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).