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

C22H25FN4O2S — CID 91951972

IUPAC1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCCc1noc(-c2ccc(N3CCCC(C(=O)N(C)Cc4cccs4)C3)c(F)c2)n1
InChIInChI=1S/C22H25FN4O2S/c1-3-20-24-21(29-25-20)15-8-9-19(18(23)12-15)27-10-4-6-16(13-27)22(28)26(2)14-17-7-5-11-30-17/h5,7-9,11-12,16H,3-4,6,10,13-14H2,1-2H3
InChIKeySXHMJFYLWQTRAJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.37
Rot. Bonds6

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

1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 91951972) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID91951972
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC Name1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCCc1noc(-c2ccc(N3CCCC(C(=O)N(C)Cc4cccs4)C3)c(F)c2)n1
InChIInChI=1S/C22H25FN4O2S/c1-3-20-24-21(29-25-20)15-8-9-19(18(23)12-15)27-10-4-6-16(13-27)22(28)26(2)14-17-7-5-11-30-17/h5,7-9,11-12,16H,3-4,6,10,13-14H2,1-2H3
InChIKeySXHMJFYLWQTRAJ-UHFFFAOYSA-N
XLogP4.37
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 91951992
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 42887583
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 18114209
N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 20904857
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 91952024
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731013
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 18162229
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024935
(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153604
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 91951972) is 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is CCc1noc(-c2ccc(N3CCCC(C(=O)N(C)Cc4cccs4)C3)c(F)c2)n1.
What is the InChIKey of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SXHMJFYLWQTRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c1-3-20-24-21(29-25-20)15-8-9-19(18(23)12-15)27-10-4-6-16(13-27)22(28)26(2)14-17-7-5-11-30-17/h5,7-9,11-12,16H,3-4,6,10,13-14H2,1-2H3.
What are the key properties of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 91951972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).