3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one

C16H19BrN4O — CID 112707758

IUPAC3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one
SMILESCc1cc(-n2ccnc(N3CCC(N)CC3)c2=O)ccc1Br
InChIInChI=1S/C16H19BrN4O/c1-11-10-13(2-3-14(11)17)21-9-6-19-15(16(21)22)20-7-4-12(18)5-8-20/h2-3,6,9-10,12H,4-5,7-8,18H2,1H3
InChIKeyRDQFKEWCENVZRS-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.23
Rot. Bonds2

About 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one

3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one (PubChem CID 112707758) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one
PubChem CID112707758
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one
SMILESCc1cc(-n2ccnc(N3CCC(N)CC3)c2=O)ccc1Br
InChIInChI=1S/C16H19BrN4O/c1-11-10-13(2-3-14(11)17)21-9-6-19-15(16(21)22)20-7-4-12(18)5-8-20/h2-3,6,9-10,12H,4-5,7-8,18H2,1H3
InChIKeyRDQFKEWCENVZRS-UHFFFAOYSA-N
XLogP2.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one
CID 112707759
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
CID 60861630
1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one
CID 139023059
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
3-(3-aminopyrrolidin-1-yl)-1-tert-butylpyrazin-2-one
CID 62927962
1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 62253531
1-pyrido[3,4-b]pyrazin-5-ylpiperidin-4-amine
CID 121415433
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023303

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one (CID 112707758) is 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one is Cc1cc(-n2ccnc(N3CCC(N)CC3)c2=O)ccc1Br.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one?
The InChIKey is RDQFKEWCENVZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-11-10-13(2-3-14(11)17)21-9-6-19-15(16(21)22)20-7-4-12(18)5-8-20/h2-3,6,9-10,12H,4-5,7-8,18H2,1H3.
What are the key properties of 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one?
3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one has a molecular weight of 363.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one is sourced from PubChem (CID 112707758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).