3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole

C12H21N3O — CID 143714165

IUPAC3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
SMILESCCCC1CCN(c2nc(CC)no2)CC1
InChIInChI=1S/C12H21N3O/c1-3-5-10-6-8-15(9-7-10)12-13-11(4-2)14-16-12/h10H,3-9H2,1-2H3
InChIKeyZFPDBALIALNOJR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.65
Rot. Bonds4

About 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole

3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole (PubChem CID 143714165) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
PubChem CID143714165
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
SMILESCCCC1CCN(c2nc(CC)no2)CC1
InChIInChI=1S/C12H21N3O/c1-3-5-10-6-8-15(9-7-10)12-13-11(4-2)14-16-12/h10H,3-9H2,1-2H3
InChIKeyZFPDBALIALNOJR-UHFFFAOYSA-N
XLogP2.65
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 67212517
(3R)-3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butan-1-ol
CID 59567924
5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 143714152
methyl 4-[3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methylbenzoate
CID 58443164
3-ethyl-5-[4-[3-[(6-methyl-5-methylsulfonyl-2,3-dihydropyridin-2-yl)oxy]propyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 71081594
5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole
CID 118396401
3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine
CID 68571697
2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62864514
3-butyl-5-piperazin-1-yl-1,2,4-oxadiazole
CID 118396397
5-[4-[3-(3-methyl-4-methylsulfonylphenoxy)propyl]piperidin-1-yl]-3-propyl-1,2,4-oxadiazole
CID 24963865
N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106960424
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole (CID 143714165) is 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole is CCCC1CCN(c2nc(CC)no2)CC1.
What is the InChIKey of 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
The InChIKey is ZFPDBALIALNOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-10-6-8-15(9-7-10)12-13-11(4-2)14-16-12/h10H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 143714165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).