4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one

C15H15FN4O2 — CID 163343878

IUPAC4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(c3ncccc3F)CC2=O)ccn1
InChIInChI=1S/C15H15FN4O2/c1-22-13-9-11(4-6-17-13)20-8-7-19(10-14(20)21)15-12(16)3-2-5-18-15/h2-6,9H,7-8,10H2,1H3
InChIKeyYGCKQZNBIZMRES-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.48
Rot. Bonds3

About 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one

4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one (PubChem CID 163343878) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
PubChem CID163343878
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(c3ncccc3F)CC2=O)ccn1
InChIInChI=1S/C15H15FN4O2/c1-22-13-9-11(4-6-17-13)20-8-7-19(10-14(20)21)15-12(16)3-2-5-18-15/h2-6,9H,7-8,10H2,1H3
InChIKeyYGCKQZNBIZMRES-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The IUPAC name of 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one (CID 163343878) is 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one is COc1cc(N2CCN(c3ncccc3F)CC2=O)ccn1.
What is the InChIKey of 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The InChIKey is YGCKQZNBIZMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-22-13-9-11(4-6-17-13)20-8-7-19(10-14(20)21)15-12(16)3-2-5-18-15/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one has a molecular weight of 302.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one is sourced from PubChem (CID 163343878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).