1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one

C17H18FN3O — CID 56904232

IUPAC1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2cccnc2)CCN1Cc1ccccc1F
InChIInChI=1S/C17H18FN3O/c18-16-6-2-1-5-15(16)12-21-9-8-20(13-17(21)22)11-14-4-3-7-19-10-14/h1-7,10H,8-9,11-13H2
InChIKeyJPPZFYVFGZTSHG-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.07
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one

1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one (PubChem CID 56904232) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
PubChem CID56904232
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2cccnc2)CCN1Cc1ccccc1F
InChIInChI=1S/C17H18FN3O/c18-16-6-2-1-5-15(16)12-21-9-8-20(13-17(21)22)11-14-4-3-7-19-10-14/h1-7,10H,8-9,11-13H2
InChIKeyJPPZFYVFGZTSHG-UHFFFAOYSA-N
XLogP2.07
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
CID 146080007
8-[(2-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895518
1-(pyridin-3-ylmethyl)-4-[(2,4,6-trifluorophenyl)methyl]-1,4-diazepan-5-one
CID 24733228
3-[(2-fluorophenyl)methyl]-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121026825
3-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridine
CID 126767410
1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
CID 91783345
1-(pyridin-3-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one
CID 24732998
3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 91925976
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine
CID 45215511
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 77081878

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one (CID 56904232) is 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one is O=C1CN(Cc2cccnc2)CCN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one?
The InChIKey is JPPZFYVFGZTSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-16-6-2-1-5-15(16)12-21-9-8-20(13-17(21)22)11-14-4-3-7-19-10-14/h1-7,10H,8-9,11-13H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one?
1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one has a molecular weight of 299.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 56904232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).