[3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

C15H17FN4O2 — CID 45201008

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H17FN4O2/c1-10-14(19-22-18-10)15(21)20-8-2-3-13(9-20)17-12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-9H2,1H3
InChIKeyBGOLSBOWVMTGJR-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.23
Rot. Bonds3

About [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

[3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 45201008) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID45201008
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H17FN4O2/c1-10-14(19-22-18-10)15(21)20-8-2-3-13(9-20)17-12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-9H2,1H3
InChIKeyBGOLSBOWVMTGJR-UHFFFAOYSA-N
XLogP2.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 45201008) is [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is BGOLSBOWVMTGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-10-14(19-22-18-10)15(21)20-8-2-3-13(9-20)17-12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-9H2,1H3.
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 304.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 45201008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).