1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione

C10H12N4O3 — CID 114570815

IUPAC1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2ncc[nH]c2=O)C1=O
InChIInChI=1S/C10H12N4O3/c1-14-7(15)3-2-6(10(14)17)13-8-9(16)12-5-4-11-8/h4-6H,2-3H2,1H3,(H,11,13)(H,12,16)
InChIKeyYOWRMMBWYDKHFF-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.67
Rot. Bonds2

About 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione

1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione (PubChem CID 114570815) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione
PubChem CID114570815
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2ncc[nH]c2=O)C1=O
InChIInChI=1S/C10H12N4O3/c1-14-7(15)3-2-6(10(14)17)13-8-9(16)12-5-4-11-8/h4-6H,2-3H2,1H3,(H,11,13)(H,12,16)
InChIKeyYOWRMMBWYDKHFF-UHFFFAOYSA-N
XLogP-0.67
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Aminopiperidin-1-yl)-1-ethyl-1,2-dihydropyrazin-2-one
CID 62939070
(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 97259562
3-(3-aminopiperidin-1-yl)pyrazin-2(1H)-one
CID 86811807
3-[4-(4,4-Difluoropyrrolidine-2-carbonyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 120352542
1-(2-Oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
CID 22969712
3-(2-Methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione
CID 123463398
2-(2,6-Dioxopiperidin-3-yl)-3-ethenyl-1,1-dimethylguanidine
CID 167308601
3-[(1-Ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one
CID 55130789
3-[4-(Ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 55131171
3-[2-(Methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 55139442
1-Cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 55155080
1-Tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 55155270

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione (CID 114570815) is 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione is CN1C(=O)CCC(Nc2ncc[nH]c2=O)C1=O.
What is the InChIKey of 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione?
The InChIKey is YOWRMMBWYDKHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-14-7(15)3-2-6(10(14)17)13-8-9(16)12-5-4-11-8/h4-6H,2-3H2,1H3,(H,11,13)(H,12,16).
What are the key properties of 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione?
1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione has a molecular weight of 236.23 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 114570815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).