4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile

C22H28N4O — CID 70967303

IUPAC4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC1(N2CCC(CCc3noc(-c4ccc(C#N)cc4)n3)CC2)CCCC1
InChIInChI=1S/C22H28N4O/c1-22(12-2-3-13-22)26-14-10-17(11-15-26)6-9-20-24-21(27-25-20)19-7-4-18(16-23)5-8-19/h4-5,7-8,17H,2-3,6,9-15H2,1H3
InChIKeyVOZBITWWIHSHMD-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.59
Rot. Bonds5

About 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile

4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 70967303) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID70967303
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC1(N2CCC(CCc3noc(-c4ccc(C#N)cc4)n3)CC2)CCCC1
InChIInChI=1S/C22H28N4O/c1-22(12-2-3-13-22)26-14-10-17(11-15-26)6-9-20-24-21(27-25-20)19-7-4-18(16-23)5-8-19/h4-5,7-8,17H,2-3,6,9-15H2,1H3
InChIKeyVOZBITWWIHSHMD-UHFFFAOYSA-N
XLogP4.59
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile (CID 70967303) is 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile is CC1(N2CCC(CCc3noc(-c4ccc(C#N)cc4)n3)CC2)CCCC1.
What is the InChIKey of 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is VOZBITWWIHSHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-22(12-2-3-13-22)26-14-10-17(11-15-26)6-9-20-24-21(27-25-20)19-7-4-18(16-23)5-8-19/h4-5,7-8,17H,2-3,6,9-15H2,1H3.
What are the key properties of 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 364.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 70967303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).