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

C19H22N4O — CID 71928556

IUPAC4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile
SMILESCC(c1ccc(C#N)cc1)N1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C19H22N4O/c1-13(15-6-4-14(11-20)5-7-15)23-10-2-3-17(12-23)18-21-19(24-22-18)16-8-9-16/h4-7,13,16-17H,2-3,8-10,12H2,1H3
InChIKeyUNIWKXYEIBSUPQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.76
Rot. Bonds4

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

4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile (PubChem CID 71928556) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile
PubChem CID71928556
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile
SMILESCC(c1ccc(C#N)cc1)N1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C19H22N4O/c1-13(15-6-4-14(11-20)5-7-15)23-10-2-3-17(12-23)18-21-19(24-22-18)16-8-9-16/h4-7,13,16-17H,2-3,8-10,12H2,1H3
InChIKeyUNIWKXYEIBSUPQ-UHFFFAOYSA-N
XLogP3.76
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile?
The IUPAC name of 4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile (CID 71928556) is 4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile is CC(c1ccc(C#N)cc1)N1CCCC(c2noc(C3CC3)n2)C1.
What is the InChIKey of 4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile?
The InChIKey is UNIWKXYEIBSUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(15-6-4-14(11-20)5-7-15)23-10-2-3-17(12-23)18-21-19(24-22-18)16-8-9-16/h4-7,13,16-17H,2-3,8-10,12H2,1H3.
What are the key properties of 4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile?
4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile has a molecular weight of 322.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile is sourced from PubChem (CID 71928556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).