N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C20H23FN6O2 — CID 118712638

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)nn1C
InChIInChI=1S/C20H23FN6O2/c1-13-11-17(24-26(13)2)12-22-20(28)27-9-7-15(8-10-27)19-23-18(25-29-19)14-3-5-16(21)6-4-14/h3-6,11,15H,7-10,12H2,1-2H3,(H,22,28)
InChIKeyCTNZOCITILETEH-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.01
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 118712638) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID118712638
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)nn1C
InChIInChI=1S/C20H23FN6O2/c1-13-11-17(24-26(13)2)12-22-20(28)27-9-7-15(8-10-27)19-23-18(25-29-19)14-3-5-16(21)6-4-14/h3-6,11,15H,7-10,12H2,1-2H3,(H,22,28)
InChIKeyCTNZOCITILETEH-UHFFFAOYSA-N
XLogP3.01
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 118712638) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is Cc1cc(CNC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is CTNZOCITILETEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-13-11-17(24-26(13)2)12-22-20(28)27-9-7-15(8-10-27)19-23-18(25-29-19)14-3-5-16(21)6-4-14/h3-6,11,15H,7-10,12H2,1-2H3,(H,22,28).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118712638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).