3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one

C19H23FN4O — CID 128965839

IUPAC3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC(NC/C=C/c3ccc(F)cc3)C2)c1=O
InChIInChI=1S/C19H23FN4O/c1-23-13-11-22-18(19(23)25)24-12-3-5-17(14-24)21-10-2-4-15-6-8-16(20)9-7-15/h2,4,6-9,11,13,17,21H,3,5,10,12,14H2,1H3/b4-2+
InChIKeyWVSCVOISBZZJPO-DUXPYHPUSA-N
MW342.42 g/mol
LogP2.19
Rot. Bonds5

About 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 128965839) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID128965839
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC(NC/C=C/c3ccc(F)cc3)C2)c1=O
InChIInChI=1S/C19H23FN4O/c1-23-13-11-22-18(19(23)25)24-12-3-5-17(14-24)21-10-2-4-15-6-8-16(20)9-7-15/h2,4,6-9,11,13,17,21H,3,5,10,12,14H2,1H3/b4-2+
InChIKeyWVSCVOISBZZJPO-DUXPYHPUSA-N
XLogP2.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 128965839) is 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCCC(NC/C=C/c3ccc(F)cc3)C2)c1=O.
What is the InChIKey of 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is WVSCVOISBZZJPO-DUXPYHPUSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-23-13-11-22-18(19(23)25)24-12-3-5-17(14-24)21-10-2-4-15-6-8-16(20)9-7-15/h2,4,6-9,11,13,17,21H,3,5,10,12,14H2,1H3/b4-2+.
What are the key properties of 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 342.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 128965839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).