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

C19H19FN4O2S — CID 118712630

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-16-3-1-14(2-4-16)17-22-18(26-23-17)15-5-8-24(9-6-15)19(25)21-11-13-7-10-27-12-13/h1-4,7,10,12,15H,5-6,8-9,11H2,(H,21,25)
InChIKeyVTCOMMYOOGHCHB-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.03
Rot. Bonds4

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

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 118712630) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
PubChem CID118712630
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-16-3-1-14(2-4-16)17-22-18(26-23-17)15-5-8-24(9-6-15)19(25)21-11-13-7-10-27-12-13/h1-4,7,10,12,15H,5-6,8-9,11H2,(H,21,25)
InChIKeyVTCOMMYOOGHCHB-UHFFFAOYSA-N
XLogP4.03
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide (CID 118712630) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccsc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is VTCOMMYOOGHCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-16-3-1-14(2-4-16)17-22-18(26-23-17)15-5-8-24(9-6-15)19(25)21-11-13-7-10-27-12-13/h1-4,7,10,12,15H,5-6,8-9,11H2,(H,21,25).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 118712630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).