2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile

C15H18N6O — CID 36643556

IUPAC2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCc1noc([C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1
InChIInChI=1S/C15H18N6O/c1-11(15-18-12(2)19-22-15)20-5-7-21(8-6-20)14-9-13(10-16)3-4-17-14/h3-4,9,11H,5-8H2,1-2H3/t11-/m1/s1
InChIKeyRUWYQUQNMLFASN-LLVKDONJSA-N
MW298.35 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 36643556) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID36643556
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCc1noc([C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1
InChIInChI=1S/C15H18N6O/c1-11(15-18-12(2)19-22-15)20-5-7-21(8-6-20)14-9-13(10-16)3-4-17-14/h3-4,9,11H,5-8H2,1-2H3/t11-/m1/s1
InChIKeyRUWYQUQNMLFASN-LLVKDONJSA-N
XLogP1.53
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 36643556) is 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile is Cc1noc([C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1.
What is the InChIKey of 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is RUWYQUQNMLFASN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11(15-18-12(2)19-22-15)20-5-7-21(8-6-20)14-9-13(10-16)3-4-17-14/h3-4,9,11H,5-8H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 36643556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).