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

C20H21FN4O2S — CID 91952060

IUPAC1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
SMILESCc1nc(-c2ccc(N3CCCCC3C(=O)NCc3cccs3)c(F)c2)no1
InChIInChI=1S/C20H21FN4O2S/c1-13-23-19(24-27-13)14-7-8-17(16(21)11-14)25-9-3-2-6-18(25)20(26)22-12-15-5-4-10-28-15/h4-5,7-8,10-11,18H,2-3,6,9,12H2,1H3,(H,22,26)
InChIKeyWKBFMZKHZQMGAO-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.92
Rot. Bonds5

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

1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 91952060) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
PubChem CID91952060
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
SMILESCc1nc(-c2ccc(N3CCCCC3C(=O)NCc3cccs3)c(F)c2)no1
InChIInChI=1S/C20H21FN4O2S/c1-13-23-19(24-27-13)14-7-8-17(16(21)11-14)25-9-3-2-6-18(25)20(26)22-12-15-5-4-10-28-15/h4-5,7-8,10-11,18H,2-3,6,9,12H2,1H3,(H,22,26)
InChIKeyWKBFMZKHZQMGAO-UHFFFAOYSA-N
XLogP3.92
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide
CID 91952095
1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 91952127
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide
CID 91952093
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 91952117
(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 92882338
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95104341
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53030333
1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45210781
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22519605
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46292734
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91809993
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 118712627

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide (CID 91952060) is 1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide is Cc1nc(-c2ccc(N3CCCCC3C(=O)NCc3cccs3)c(F)c2)no1.
What is the InChIKey of 1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is WKBFMZKHZQMGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-13-23-19(24-27-13)14-7-8-17(16(21)11-14)25-9-3-2-6-18(25)20(26)22-12-15-5-4-10-28-15/h4-5,7-8,10-11,18H,2-3,6,9,12H2,1H3,(H,22,26).
What are the key properties of 1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide?
1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 91952060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).