3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one

C17H24N6O2 — CID 86285968

IUPAC3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C17H24N6O2/c1-12(2)14-19-6-7-23(14)13(3)17(25)22-10-8-21(9-11-22)15-16(24)20-5-4-18-15/h4-7,12-13H,8-11H2,1-3H3,(H,20,24)
InChIKeyYLCODROEKUJPKD-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.00
Rot. Bonds4

About 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one

3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 86285968) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID86285968
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C17H24N6O2/c1-12(2)14-19-6-7-23(14)13(3)17(25)22-10-8-21(9-11-22)15-16(24)20-5-4-18-15/h4-7,12-13H,8-11H2,1-3H3,(H,20,24)
InChIKeyYLCODROEKUJPKD-UHFFFAOYSA-N
XLogP1.00
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one (CID 86285968) is 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one is CC(C)c1nccn1C(C)C(=O)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is YLCODROEKUJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12(2)14-19-6-7-23(14)13(3)17(25)22-10-8-21(9-11-22)15-16(24)20-5-4-18-15/h4-7,12-13H,8-11H2,1-3H3,(H,20,24).
What are the key properties of 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 344.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 86285968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).