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

C16H24N6O — CID 95339669

IUPAC(2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile
SMILESCCc1noc([C@@H](C)N2CCN(C[C@@H](C#N)CCC#N)CC2)n1
InChIInChI=1S/C16H24N6O/c1-3-15-19-16(23-20-15)13(2)22-9-7-21(8-10-22)12-14(11-18)5-4-6-17/h13-14H,3-5,7-10,12H2,1-2H3/t13-,14-/m1/s1
InChIKeyFCMJNGRCRYBNJU-ZIAGYGMSSA-N
MW316.41 g/mol
LogP1.75
Rot. Bonds7

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

(2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile (PubChem CID 95339669) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile
PubChem CID95339669
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile
SMILESCCc1noc([C@@H](C)N2CCN(C[C@@H](C#N)CCC#N)CC2)n1
InChIInChI=1S/C16H24N6O/c1-3-15-19-16(23-20-15)13(2)22-9-7-21(8-10-22)12-14(11-18)5-4-6-17/h13-14H,3-5,7-10,12H2,1-2H3/t13-,14-/m1/s1
InChIKeyFCMJNGRCRYBNJU-ZIAGYGMSSA-N
XLogP1.75
TPSA92.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile?
The IUPAC name of (2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile (CID 95339669) is (2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for (2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile is CCc1noc([C@@H](C)N2CCN(C[C@@H](C#N)CCC#N)CC2)n1.
What is the InChIKey of (2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile?
The InChIKey is FCMJNGRCRYBNJU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N6O/c1-3-15-19-16(23-20-15)13(2)22-9-7-21(8-10-22)12-14(11-18)5-4-6-17/h13-14H,3-5,7-10,12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile?
(2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile has a molecular weight of 316.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 95339669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).