[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone

C18H19FN4O2S — CID 126796352

IUPAC[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESCN(C)c1noc(C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)n1
InChIInChI=1S/C18H19FN4O2S/c1-22(2)18-20-16(25-21-18)11-5-7-23(8-6-11)17(24)15-10-12-9-13(19)3-4-14(12)26-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyCBDMNUZKCJRTRK-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.51
Rot. Bonds3

About [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone

[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 126796352) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID126796352
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESCN(C)c1noc(C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)n1
InChIInChI=1S/C18H19FN4O2S/c1-22(2)18-20-16(25-21-18)11-5-7-23(8-6-11)17(24)15-10-12-9-13(19)3-4-14(12)26-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyCBDMNUZKCJRTRK-UHFFFAOYSA-N
XLogP3.51
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119518600
[1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491040
(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 121186953
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 126788774
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 119636905
7,8-dihydronaphthalen-2-yl-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 146124961
(1S,4R)-4-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobut-2-ene-1-carboxylic acid
CID 167977364
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78986209
(5-fluoro-1-benzothiophen-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 31114232
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56818669
1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 99788273
1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 78804876

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone (CID 126796352) is [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone is CN(C)c1noc(C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)n1.
What is the InChIKey of [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is CBDMNUZKCJRTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-22(2)18-20-16(25-21-18)11-5-7-23(8-6-11)17(24)15-10-12-9-13(19)3-4-14(12)26-15/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone?
[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 126796352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).