2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one

C21H22FN5O2 — CID 110417211

IUPAC2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCc1nnc(N2CCN(C(=O)C(Cc3ccccn3)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H22FN5O2/c1-15-24-25-21(29-15)27-12-10-26(11-13-27)20(28)19(14-18-4-2-3-9-23-18)16-5-7-17(22)8-6-16/h2-9,19H,10-14H2,1H3
InChIKeyGRXSAZXCLHZEHP-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one

2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 110417211) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID110417211
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCc1nnc(N2CCN(C(=O)C(Cc3ccccn3)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H22FN5O2/c1-15-24-25-21(29-15)27-12-10-26(11-13-27)20(28)19(14-18-4-2-3-9-23-18)16-5-7-17(22)8-6-16/h2-9,19H,10-14H2,1H3
InChIKeyGRXSAZXCLHZEHP-UHFFFAOYSA-N
XLogP2.59
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110417209
1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110408656
2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110308190
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417236
2-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyridin-2-ylpropanamide
CID 110303116
1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110411945
2-(4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 110296265
2-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110296341
3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 48846750
N-(2-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296355
2-(3-fluorophenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110665118

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 110417211) is 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is Cc1nnc(N2CCN(C(=O)C(Cc3ccccn3)c3ccc(F)cc3)CC2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is GRXSAZXCLHZEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-15-24-25-21(29-15)27-12-10-26(11-13-27)20(28)19(14-18-4-2-3-9-23-18)16-5-7-17(22)8-6-16/h2-9,19H,10-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 395.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 110417211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).