2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile

C19H22N4O — CID 129486880

IUPAC2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1
InChIInChI=1S/C19H22N4O/c20-12-15-6-1-2-7-16(15)13-23-11-4-3-10-17(23)19-22-21-18(24-19)14-8-5-9-14/h1-2,6-7,14,17H,3-5,8-11,13H2/t17-/m1/s1
InChIKeyUJUAUZUZPNBBFQ-QGZVFWFLSA-N
MW322.41 g/mol
LogP3.94
Rot. Bonds4

About 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile

2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 129486880) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
PubChem CID129486880
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1
InChIInChI=1S/C19H22N4O/c20-12-15-6-1-2-7-16(15)13-23-11-4-3-10-17(23)19-22-21-18(24-19)14-8-5-9-14/h1-2,6-7,14,17H,3-5,8-11,13H2/t17-/m1/s1
InChIKeyUJUAUZUZPNBBFQ-QGZVFWFLSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile (CID 129486880) is 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1.
What is the InChIKey of 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is UJUAUZUZPNBBFQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O/c20-12-15-6-1-2-7-16(15)13-23-11-4-3-10-17(23)19-22-21-18(24-19)14-8-5-9-14/h1-2,6-7,14,17H,3-5,8-11,13H2/t17-/m1/s1.
What are the key properties of 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile?
2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 322.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 129486880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).