N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine

C11H20N4O — CID 116806371

IUPACN,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(C2CCCCN2)n1
InChIInChI=1S/C11H20N4O/c1-3-15(4-2)11-13-10(16-14-11)9-7-5-6-8-12-9/h9,12H,3-8H2,1-2H3
InChIKeyIIAFPCNDFILZNC-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.73
Rot. Bonds4

About N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine

N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine (PubChem CID 116806371) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
PubChem CID116806371
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(C2CCCCN2)n1
InChIInChI=1S/C11H20N4O/c1-3-15(4-2)11-13-10(16-14-11)9-7-5-6-8-12-9/h9,12H,3-8H2,1-2H3
InChIKeyIIAFPCNDFILZNC-UHFFFAOYSA-N
XLogP1.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine
CID 104900916
5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808240
5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 114239831
3-(ethoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915006
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-(methylsulfanylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94552140
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
5-(azepan-2-yl)-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole
CID 65131185
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637
3-(3-methylbutyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914882
3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116701833
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine (CID 116806371) is N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine is CCN(CC)c1noc(C2CCCCN2)n1.
What is the InChIKey of N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine?
The InChIKey is IIAFPCNDFILZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15(4-2)11-13-10(16-14-11)9-7-5-6-8-12-9/h9,12H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine?
N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine has a molecular weight of 224.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116806371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).