2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole

C12H18N4O — CID 5255005

IUPAC2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole
SMILESC1=CC(c2nnc(C3CCCNC3)o2)CNC1
InChIInChI=1S/C12H18N4O/c1-3-9(7-13-5-1)11-15-16-12(17-11)10-4-2-6-14-8-10/h1,3,9-10,13-14H,2,4-8H2
InChIKeyUAXRVAKSZDJJML-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.78
Rot. Bonds2

About 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole

2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole (PubChem CID 5255005) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole
PubChem CID5255005
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole
SMILESC1=CC(c2nnc(C3CCCNC3)o2)CNC1
InChIInChI=1S/C12H18N4O/c1-3-9(7-13-5-1)11-15-16-12(17-11)10-4-2-6-14-8-10/h1,3,9-10,13-14H,2,4-8H2
InChIKeyUAXRVAKSZDJJML-UHFFFAOYSA-N
XLogP0.78
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 82668755
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456060
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395
2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde
CID 115085525
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82044862
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole (CID 5255005) is 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole is C1=CC(c2nnc(C3CCCNC3)o2)CNC1.
What is the InChIKey of 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole?
The InChIKey is UAXRVAKSZDJJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-9(7-13-5-1)11-15-16-12(17-11)10-4-2-6-14-8-10/h1,3,9-10,13-14H,2,4-8H2.
What are the key properties of 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole?
2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole has a molecular weight of 234.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 5255005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).