4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one

C19H20FN3O3 — CID 139023373

IUPAC4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(C(=O)CCc3ccccc3F)CC2=O)ccn1
InChIInChI=1S/C19H20FN3O3/c1-26-17-12-15(8-9-21-17)23-11-10-22(13-19(23)25)18(24)7-6-14-4-2-3-5-16(14)20/h2-5,8-9,12H,6-7,10-11,13H2,1H3
InChIKeyTWNNOFADSQBOIW-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.04
Rot. Bonds5

About 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one

4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one (PubChem CID 139023373) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
PubChem CID139023373
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(C(=O)CCc3ccccc3F)CC2=O)ccn1
InChIInChI=1S/C19H20FN3O3/c1-26-17-12-15(8-9-21-17)23-11-10-22(13-19(23)25)18(24)7-6-14-4-2-3-5-16(14)20/h2-5,8-9,12H,6-7,10-11,13H2,1H3
InChIKeyTWNNOFADSQBOIW-UHFFFAOYSA-N
XLogP2.04
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
CID 110708111
4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023411
4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023042
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432
1-(2-methoxy-4-pyridinyl)-4-(3-phenylprop-2-enyl)piperazin-2-one
CID 171145881
1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
1-(4,4-dimethoxypiperidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 112534879
3-(2-fluorophenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110603269
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
CID 162644387
1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
CID 70769325

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The IUPAC name of 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one (CID 139023373) is 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one is COc1cc(N2CCN(C(=O)CCc3ccccc3F)CC2=O)ccn1.
What is the InChIKey of 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The InChIKey is TWNNOFADSQBOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-26-17-12-15(8-9-21-17)23-11-10-22(13-19(23)25)18(24)7-6-14-4-2-3-5-16(14)20/h2-5,8-9,12H,6-7,10-11,13H2,1H3.
What are the key properties of 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one has a molecular weight of 357.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one is sourced from PubChem (CID 139023373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).