1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C22H27N3O2S — CID 121068791

IUPAC1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(c2nnc(-c3cccs3)o2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O2S/c26-21(22-10-14-7-15(11-22)9-16(8-14)12-22)25-5-1-3-17(13-25)19-23-24-20(27-19)18-4-2-6-28-18/h2,4,6,14-17H,1,3,5,7-13H2
InChIKeyUSDQEWKNFIXQSO-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.72
Rot. Bonds3

About 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121068791) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID121068791
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(c2nnc(-c3cccs3)o2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O2S/c26-21(22-10-14-7-15(11-22)9-16(8-14)12-22)25-5-1-3-17(13-25)19-23-24-20(27-19)18-4-2-6-28-18/h2,4,6,14-17H,1,3,5,7-13H2
InChIKeyUSDQEWKNFIXQSO-UHFFFAOYSA-N
XLogP4.72
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068853
2-methyl-1-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 51895985
(3S)-N-ethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 51896006
(4-fluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93492617
(3,4-difluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863585
(3R)-N-(4-fluorophenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 30863766
furan-2-yl-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863498
3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 51895983
(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110243077
(4-phenylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068824
(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849840
(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068792

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121068791) is 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(N1CCCC(c2nnc(-c3cccs3)o2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is USDQEWKNFIXQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c26-21(22-10-14-7-15(11-22)9-16(8-14)12-22)25-5-1-3-17(13-25)19-23-24-20(27-19)18-4-2-6-28-18/h2,4,6,14-17H,1,3,5,7-13H2.
What are the key properties of 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 397.54 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121068791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).