1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile

C12H18N4O — CID 48939790

IUPAC1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile
SMILESCCc1noc(C(C)N2CCC(C#N)CC2)n1
InChIInChI=1S/C12H18N4O/c1-3-11-14-12(17-15-11)9(2)16-6-4-10(8-13)5-7-16/h9-10H,3-7H2,1-2H3
InChIKeyDAMVWKOEAYYJFG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.93
Rot. Bonds3

About 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile

1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile (PubChem CID 48939790) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile
PubChem CID48939790
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile
SMILESCCc1noc(C(C)N2CCC(C#N)CC2)n1
InChIInChI=1S/C12H18N4O/c1-3-11-14-12(17-15-11)9(2)16-6-4-10(8-13)5-7-16/h9-10H,3-7H2,1-2H3
InChIKeyDAMVWKOEAYYJFG-UHFFFAOYSA-N
XLogP1.93
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
(2S)-2-[[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pentanedinitrile
CID 95339669
[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol
CID 111750179
3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 133311387
(3S)-1-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-phenylpyrrolidin-3-amine
CID 52872567
5-[(1S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 51931920
4-acetyl-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile
CID 133457691

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile (CID 48939790) is 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile is CCc1noc(C(C)N2CCC(C#N)CC2)n1.
What is the InChIKey of 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile?
The InChIKey is DAMVWKOEAYYJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-11-14-12(17-15-11)9(2)16-6-4-10(8-13)5-7-16/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile?
1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 48939790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).