1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione

C17H19FN4O3 — CID 110417236

IUPAC1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
SMILESCc1nnc(N2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C17H19FN4O3/c1-12-19-20-17(25-12)22-10-8-21(9-11-22)16(24)7-6-15(23)13-2-4-14(18)5-3-13/h2-5H,6-11H2,1H3
InChIKeyZTCRWTWVNWQNDW-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione

1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione (PubChem CID 110417236) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
PubChem CID110417236
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
SMILESCc1nnc(N2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C17H19FN4O3/c1-12-19-20-17(25-12)22-10-8-21(9-11-22)16(24)7-6-15(23)13-2-4-14(18)5-3-13/h2-5H,6-11H2,1H3
InChIKeyZTCRWTWVNWQNDW-UHFFFAOYSA-N
XLogP1.83
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 110603034
1-(4-chlorophenyl)-4-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417422
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419085
2-(3-fluorophenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110665118
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110665105
1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335653
4-(4-tert-butylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butan-1-one
CID 110419621
4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419618
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
(3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110610752
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110665106

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione (CID 110417236) is 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione is Cc1nnc(N2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione?
The InChIKey is ZTCRWTWVNWQNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-12-19-20-17(25-12)22-10-8-21(9-11-22)16(24)7-6-15(23)13-2-4-14(18)5-3-13/h2-5H,6-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione?
1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione has a molecular weight of 346.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione is sourced from PubChem (CID 110417236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).