(2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C21H21FN4O3 — CID 58270748

IUPAC(2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)c(C)n1
InChIInChI=1S/C21H21FN4O3/c1-13-3-8-18(14(2)23-13)28-21(27)26-11-9-15(10-12-26)19-24-20(29-25-19)16-4-6-17(22)7-5-16/h3-8,15H,9-12H2,1-2H3
InChIKeyZDBSEASIFBGKRP-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.27
Rot. Bonds3

About (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

(2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 58270748) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID58270748
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name(2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)c(C)n1
InChIInChI=1S/C21H21FN4O3/c1-13-3-8-18(14(2)23-13)28-21(27)26-11-9-15(10-12-26)19-24-20(29-25-19)16-4-6-17(22)7-5-16/h3-8,15H,9-12H2,1-2H3
InChIKeyZDBSEASIFBGKRP-UHFFFAOYSA-N
XLogP4.27
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate 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 (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 58270748) is (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is Cc1ccc(OC(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is ZDBSEASIFBGKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-13-3-8-18(14(2)23-13)28-21(27)26-11-9-15(10-12-26)19-24-20(29-25-19)16-4-6-17(22)7-5-16/h3-8,15H,9-12H2,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
(2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 396.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).