1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one

C16H17FN4O2 — CID 39752260

IUPAC1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one
SMILESCOc1nccnc1N1CCN(Cc2cccc(F)c2)C(=O)C1
InChIInChI=1S/C16H17FN4O2/c1-23-16-15(18-5-6-19-16)21-8-7-20(14(22)11-21)10-12-3-2-4-13(17)9-12/h2-6,9H,7-8,10-11H2,1H3
InChIKeyLRUJRSVSKULBKQ-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.47
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one

1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one (PubChem CID 39752260) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one
PubChem CID39752260
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one
SMILESCOc1nccnc1N1CCN(Cc2cccc(F)c2)C(=O)C1
InChIInChI=1S/C16H17FN4O2/c1-23-16-15(18-5-6-19-16)21-8-7-20(14(22)11-21)10-12-3-2-4-13(17)9-12/h2-6,9H,7-8,10-11H2,1H3
InChIKeyLRUJRSVSKULBKQ-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one (CID 39752260) is 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one is COc1nccnc1N1CCN(Cc2cccc(F)c2)C(=O)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one?
The InChIKey is LRUJRSVSKULBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-23-16-15(18-5-6-19-16)21-8-7-20(14(22)11-21)10-12-3-2-4-13(17)9-12/h2-6,9H,7-8,10-11H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one?
1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one has a molecular weight of 316.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one is sourced from PubChem (CID 39752260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).