1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone

C18H20FN3O — CID 133313515

IUPAC1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3cccc(C)n3)CC2)c(F)c1
InChIInChI=1S/C18H20FN3O/c1-13-4-3-5-18(20-13)22-10-8-21(9-11-22)17-7-6-15(14(2)23)12-16(17)19/h3-7,12H,8-11H2,1-2H3
InChIKeyGFCURPBVATTZMV-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.06
Rot. Bonds3

About 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone

1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 133313515) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
PubChem CID133313515
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(c3cccc(C)n3)CC2)c(F)c1
InChIInChI=1S/C18H20FN3O/c1-13-4-3-5-18(20-13)22-10-8-21(9-11-22)17-7-6-15(14(2)23)12-16(17)19/h3-7,12H,8-11H2,1-2H3
InChIKeyGFCURPBVATTZMV-UHFFFAOYSA-N
XLogP3.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 133273937
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 42895178
1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
CID 114237147
1-[3-fluoro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]ethanone
CID 26447855
(2R)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 95788899
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
1-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 171335167
4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
CID 75524435
1-[3-fluoro-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]phenyl]ethanone
CID 56553992
1-[3-fluoro-4-[4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 47093446

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone (CID 133313515) is 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(c3cccc(C)n3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is GFCURPBVATTZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-13-4-3-5-18(20-13)22-10-8-21(9-11-22)17-7-6-15(14(2)23)12-16(17)19/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone?
1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 313.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 133313515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).