[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

C16H20N4O2 — CID 136543650

IUPAC[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCCCC1c1nnc(C2CCC2)o1
InChIInChI=1S/C16H20N4O2/c21-16(12-7-4-9-17-12)20-10-2-1-8-13(20)15-19-18-14(22-15)11-5-3-6-11/h4,7,9,11,13,17H,1-3,5-6,8,10H2
InChIKeyIMPILDVEPLMJCT-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.03
Rot. Bonds3

About [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 136543650) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID136543650
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCCCC1c1nnc(C2CCC2)o1
InChIInChI=1S/C16H20N4O2/c21-16(12-7-4-9-17-12)20-10-2-1-8-13(20)15-19-18-14(22-15)11-5-3-6-11/h4,7,9,11,13,17H,1-3,5-6,8,10H2
InChIKeyIMPILDVEPLMJCT-UHFFFAOYSA-N
XLogP3.03
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95762306
[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone
CID 136544299
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
CID 154743934
[(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
(5-ethylfuran-2-yl)-[2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128990688
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95639235
[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97252746
(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
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 119649627
[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 82507381
3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 124952637

Frequently Asked Questions

What is the IUPAC name of [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 136543650) is [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCCCC1c1nnc(C2CCC2)o1.
What is the InChIKey of [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is IMPILDVEPLMJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(12-7-4-9-17-12)20-10-2-1-8-13(20)15-19-18-14(22-15)11-5-3-6-11/h4,7,9,11,13,17H,1-3,5-6,8,10H2.
What are the key properties of [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 136543650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).