(6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate

C20H20FN5O2 — CID 58270794

IUPAC(6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(n3cnc(-c4ccc(F)cc4)n3)CC2)cn1
InChIInChI=1S/C20H20FN5O2/c1-14-2-7-18(12-22-14)28-20(27)25-10-8-17(9-11-25)26-13-23-19(24-26)15-3-5-16(21)6-4-15/h2-7,12-13,17H,8-11H2,1H3
InChIKeyFJXFYPOWKTXOFE-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.62
Rot. Bonds3

About (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate

(6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate (PubChem CID 58270794) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate
PubChem CID58270794
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name(6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(n3cnc(-c4ccc(F)cc4)n3)CC2)cn1
InChIInChI=1S/C20H20FN5O2/c1-14-2-7-18(12-22-14)28-20(27)25-10-8-17(9-11-25)26-13-23-19(24-26)15-3-5-16(21)6-4-15/h2-7,12-13,17H,8-11H2,1H3
InChIKeyFJXFYPOWKTXOFE-UHFFFAOYSA-N
XLogP3.62
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate (CID 58270794) is (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate is Cc1ccc(OC(=O)N2CCC(n3cnc(-c4ccc(F)cc4)n3)CC2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate?
The InChIKey is FJXFYPOWKTXOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-14-2-7-18(12-22-14)28-20(27)25-10-8-17(9-11-25)26-13-23-19(24-26)15-3-5-16(21)6-4-15/h2-7,12-13,17H,8-11H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate?
(6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate has a molecular weight of 381.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl) 4-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).