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

C19H19FN4O2S — CID 118712627

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-15-5-3-13(4-6-15)17-22-18(26-23-17)14-7-9-24(10-8-14)19(25)21-12-16-2-1-11-27-16/h1-6,11,14H,7-10,12H2,(H,21,25)
InChIKeyUTLYQVJWQPJRHA-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.03
Rot. Bonds4

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

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 118712627) 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-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID118712627
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-15-5-3-13(4-6-15)17-22-18(26-23-17)14-7-9-24(10-8-14)19(25)21-12-16-2-1-11-27-16/h1-6,11,14H,7-10,12H2,(H,21,25)
InChIKeyUTLYQVJWQPJRHA-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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Related Compounds

N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46292734
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097329
1-[4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42764789
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53003963
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)piperidine-1-carboxamide
CID 46296065
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
1-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
CID 146066472
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91946461

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 118712627) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1cccs1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is UTLYQVJWQPJRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-15-5-3-13(4-6-15)17-22-18(26-23-17)14-7-9-24(10-8-14)19(25)21-12-16-2-1-11-27-16/h1-6,11,14H,7-10,12H2,(H,21,25).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-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-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 118712627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).