[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C19H19N3O3S — CID 99963924

IUPAC[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4cccs4)C3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-15-8-6-13(7-9-15)17-20-21-18(25-17)14-4-2-10-22(12-14)19(23)16-5-3-11-26-16/h3,5-9,11,14H,2,4,10,12H2,1H3/t14-/m1/s1
InChIKeyHPVOJLMLDOPAFW-CQSZACIVSA-N
MW369.45 g/mol
LogP3.83
Rot. Bonds4

About [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 99963924) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID99963924
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4cccs4)C3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-15-8-6-13(7-9-15)17-20-21-18(25-17)14-4-2-10-22(12-14)19(23)16-5-3-11-26-16/h3,5-9,11,14H,2,4,10,12H2,1H3/t14-/m1/s1
InChIKeyHPVOJLMLDOPAFW-CQSZACIVSA-N
XLogP3.83
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99963540
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963903
cyclopropyl-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99964099
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964095
(3-methoxyphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849844
(2-bromo-5-methoxyphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068780
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 121069773
(4-phenylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068824
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
1-(4-methoxyphenyl)-4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 121068865

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 99963924) is [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone is COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4cccs4)C3)o2)cc1.
What is the InChIKey of [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is HPVOJLMLDOPAFW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-15-8-6-13(7-9-15)17-20-21-18(25-17)14-4-2-10-22(12-14)19(23)16-5-3-11-26-16/h3,5-9,11,14H,2,4,10,12H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 369.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 99963924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).