4-(pyridine-2-carbonyl)piperazine-2,6-dione

C10H9N3O3 — CID 66085705

IUPAC4-(pyridine-2-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccccn2)CC(=O)N1
InChIInChI=1S/C10H9N3O3/c14-8-5-13(6-9(15)12-8)10(16)7-3-1-2-4-11-7/h1-4H,5-6H2,(H,12,14,15)
InChIKeyNHANXMMIRHGQCT-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.82
Rot. Bonds1

About 4-(pyridine-2-carbonyl)piperazine-2,6-dione

4-(pyridine-2-carbonyl)piperazine-2,6-dione (PubChem CID 66085705) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-(pyridine-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(pyridine-2-carbonyl)piperazine-2,6-dione
PubChem CID66085705
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name4-(pyridine-2-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccccn2)CC(=O)N1
InChIInChI=1S/C10H9N3O3/c14-8-5-13(6-9(15)12-8)10(16)7-3-1-2-4-11-7/h1-4H,5-6H2,(H,12,14,15)
InChIKeyNHANXMMIRHGQCT-UHFFFAOYSA-N
XLogP-0.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476
4-(2-aminopyridine-3-carbonyl)piperazine-2,6-dione
CID 66061658
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47138301
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone
CID 154752021
2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767

Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(pyridine-2-carbonyl)piperazine-2,6-dione (CID 66085705) is 4-(pyridine-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(pyridine-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(pyridine-2-carbonyl)piperazine-2,6-dione is O=C1CN(C(=O)c2ccccn2)CC(=O)N1.
What is the InChIKey of 4-(pyridine-2-carbonyl)piperazine-2,6-dione?
The InChIKey is NHANXMMIRHGQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-8-5-13(6-9(15)12-8)10(16)7-3-1-2-4-11-7/h1-4H,5-6H2,(H,12,14,15).
What are the key properties of 4-(pyridine-2-carbonyl)piperazine-2,6-dione?
4-(pyridine-2-carbonyl)piperazine-2,6-dione has a molecular weight of 219.20 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66085705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).