(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C20H22FN3O — CID 146074977

IUPAC(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1F
InChIInChI=1S/C20H22FN3O/c1-16-18(21)9-10-19(22-16)20(25)24-14-12-23(13-15-24)11-5-8-17-6-3-2-4-7-17/h2-10H,11-15H2,1H3/b8-5+
InChIKeyZQFZZMYJQRUSFJ-VMPITWQZSA-N
MW339.41 g/mol
LogP3.00
Rot. Bonds4

About (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 146074977) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID146074977
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1F
InChIInChI=1S/C20H22FN3O/c1-16-18(21)9-10-19(22-16)20(25)24-14-12-23(13-15-24)11-5-8-17-6-3-2-4-7-17/h2-10H,11-15H2,1H3/b8-5+
InChIKeyZQFZZMYJQRUSFJ-VMPITWQZSA-N
XLogP3.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-methylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55854973
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
(5-amino-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110854674
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 171148554
(2-methyl-1,3-oxazol-5-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110702218
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
1,2-oxazol-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110693756
(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109321596
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110854625
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 74241708
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 146074977) is (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is Cc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1F.
What is the InChIKey of (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is ZQFZZMYJQRUSFJ-VMPITWQZSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-16-18(21)9-10-19(22-16)20(25)24-14-12-23(13-15-24)11-5-8-17-6-3-2-4-7-17/h2-10H,11-15H2,1H3/b8-5+.
What are the key properties of (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 339.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 146074977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).