[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone

C21H27N3O3 — CID 136544299

IUPAC[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCCCC2c2nnc(C3CCC3)o2)c(O)c1
InChIInChI=1S/C21H27N3O3/c1-13(2)15-9-10-16(18(25)12-15)21(26)24-11-4-3-8-17(24)20-23-22-19(27-20)14-6-5-7-14/h9-10,12-14,17,25H,3-8,11H2,1-2H3
InChIKeyWIVNPYOYGWVMQZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.53
Rot. Bonds4

About [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone

[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone (PubChem CID 136544299) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone
PubChem CID136544299
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCCCC2c2nnc(C3CCC3)o2)c(O)c1
InChIInChI=1S/C21H27N3O3/c1-13(2)15-9-10-16(18(25)12-15)21(26)24-11-4-3-8-17(24)20-23-22-19(27-20)14-6-5-7-14/h9-10,12-14,17,25H,3-8,11H2,1-2H3
InChIKeyWIVNPYOYGWVMQZ-UHFFFAOYSA-N
XLogP4.53
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 129479115
[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 136543650
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
CID 154743934
(5-ethylfuran-2-yl)-[2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128990688
(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 129345198
6-methyl-5-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 128991948
[1-(2-hydroxy-4-propan-2-ylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 47051901
3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 124952637
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 7957401
1-[(2S)-2-[5-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95805443
2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 127244484
1-[(2R)-2-[5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 125017606

Frequently Asked Questions

What is the IUPAC name of [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone?
The IUPAC name of [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone (CID 136544299) is [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone?
The canonical SMILES for [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCCCC2c2nnc(C3CCC3)o2)c(O)c1.
What is the InChIKey of [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone?
The InChIKey is WIVNPYOYGWVMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(2)15-9-10-16(18(25)12-15)21(26)24-11-4-3-8-17(24)20-23-22-19(27-20)14-6-5-7-14/h9-10,12-14,17,25H,3-8,11H2,1-2H3.
What are the key properties of [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone?
[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone has a molecular weight of 369.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 136544299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).