5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one

C16H19BrN4O — CID 58043745

IUPAC5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one
SMILESCn1cc(Br)nc(Nc2ccc(C3CCNCC3)cc2)c1=O
InChIInChI=1S/C16H19BrN4O/c1-21-10-14(17)20-15(16(21)22)19-13-4-2-11(3-5-13)12-6-8-18-9-7-12/h2-5,10,12,18H,6-9H2,1H3,(H,19,20)
InChIKeyUZIVTNIEFNHTJU-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.75
Rot. Bonds3

About 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one

5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one (PubChem CID 58043745) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one
PubChem CID58043745
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one
SMILESCn1cc(Br)nc(Nc2ccc(C3CCNCC3)cc2)c1=O
InChIInChI=1S/C16H19BrN4O/c1-21-10-14(17)20-15(16(21)22)19-13-4-2-11(3-5-13)12-6-8-18-9-7-12/h2-5,10,12,18H,6-9H2,1H3,(H,19,20)
InChIKeyUZIVTNIEFNHTJU-UHFFFAOYSA-N
XLogP2.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one (CID 58043745) is 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one is Cn1cc(Br)nc(Nc2ccc(C3CCNCC3)cc2)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one?
The InChIKey is UZIVTNIEFNHTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-21-10-14(17)20-15(16(21)22)19-13-4-2-11(3-5-13)12-6-8-18-9-7-12/h2-5,10,12,18H,6-9H2,1H3,(H,19,20).
What are the key properties of 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one?
5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one has a molecular weight of 363.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one is sourced from PubChem (CID 58043745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).