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

C19H23FN4O3 — CID 91918786

IUPACN-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C19H23FN4O3/c20-15-5-1-2-6-16(15)21-19(25)24-9-3-4-14(12-24)18-22-17(23-27-18)13-7-10-26-11-8-13/h1-2,5-6,13-14H,3-4,7-12H2,(H,21,25)
InChIKeyMIZVPPVVGLBNDM-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.51
Rot. Bonds3

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

N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 91918786) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID91918786
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C19H23FN4O3/c20-15-5-1-2-6-16(15)21-19(25)24-9-3-4-14(12-24)18-22-17(23-27-18)13-7-10-26-11-8-13/h1-2,5-6,13-14H,3-4,7-12H2,(H,21,25)
InChIKeyMIZVPPVVGLBNDM-UHFFFAOYSA-N
XLogP3.51
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 91918786) is N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCCC(c2nc(C3CCOCC3)no2)C1.
What is the InChIKey of N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is MIZVPPVVGLBNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c20-15-5-1-2-6-16(15)21-19(25)24-9-3-4-14(12-24)18-22-17(23-27-18)13-7-10-26-11-8-13/h1-2,5-6,13-14H,3-4,7-12H2,(H,21,25).
What are the key properties of N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91918786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).