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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Related Compounds

1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139022999
4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023373
6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 139022978
4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 155974492
4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023028
4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 138988472
4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139028770
1-(2-methoxy-4-pyridinyl)-4-(3-phenylprop-2-enyl)piperazin-2-one
CID 171145881
1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
CID 155974357
4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023042
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537

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).