2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide

C11H16N4O2 — CID 175863257

IUPAC2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide
SMILES[2H]C1([2H])CC(n2ccnc(C)c2=O)C([2H])([2H])N(C(N)=O)C1
InChIInChI=1S/C11H16N4O2/c1-8-10(16)15(6-4-13-8)9-3-2-5-14(7-9)11(12)17/h4,6,9H,2-3,5,7H2,1H3,(H2,12,17)/i2D2,7D2
InChIKeyRIHMIYCKEKTOCY-BRVWLQDISA-N
MW240.30 g/mol
LogP0.27
Rot. Bonds1

About 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide

2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide (PubChem CID 175863257) has the molecular formula C11H16N4O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide
PubChem CID175863257
Molecular FormulaC11H16N4O2
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide
SMILES[2H]C1([2H])CC(n2ccnc(C)c2=O)C([2H])([2H])N(C(N)=O)C1
InChIInChI=1S/C11H16N4O2/c1-8-10(16)15(6-4-13-8)9-3-2-5-14(7-9)11(12)17/h4,6,9H,2-3,5,7H2,1H3,(H2,12,17)/i2D2,7D2
InChIKeyRIHMIYCKEKTOCY-BRVWLQDISA-N
XLogP0.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide?
The IUPAC name of 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide (CID 175863257) is 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide is [2H]C1([2H])CC(n2ccnc(C)c2=O)C([2H])([2H])N(C(N)=O)C1.
What is the InChIKey of 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide?
The InChIKey is RIHMIYCKEKTOCY-BRVWLQDISA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-10(16)15(6-4-13-8)9-3-2-5-14(7-9)11(12)17/h4,6,9H,2-3,5,7H2,1H3,(H2,12,17)/i2D2,7D2.
What are the key properties of 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide?
2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetradeuterio-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 175863257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).