1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one

C18H28N4O3 — CID 146104045

IUPAC1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCC(C)(C)c1nnc(C(=O)N2CCC(CN3CCCCC3=O)CC2)o1
InChIInChI=1S/C18H28N4O3/c1-18(2,3)17-20-19-15(25-17)16(24)21-10-7-13(8-11-21)12-22-9-5-4-6-14(22)23/h13H,4-12H2,1-3H3
InChIKeyJFCFQLYBVRTOKB-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.23
Rot. Bonds3

About 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one

1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 146104045) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
PubChem CID146104045
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCC(C)(C)c1nnc(C(=O)N2CCC(CN3CCCCC3=O)CC2)o1
InChIInChI=1S/C18H28N4O3/c1-18(2,3)17-20-19-15(25-17)16(24)21-10-7-13(8-11-21)12-22-9-5-4-6-14(22)23/h13H,4-12H2,1-3H3
InChIKeyJFCFQLYBVRTOKB-UHFFFAOYSA-N
XLogP2.23
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one (CID 146104045) is 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one is CC(C)(C)c1nnc(C(=O)N2CCC(CN3CCCCC3=O)CC2)o1.
What is the InChIKey of 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is JFCFQLYBVRTOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-18(2,3)17-20-19-15(25-17)16(24)21-10-7-13(8-11-21)12-22-9-5-4-6-14(22)23/h13H,4-12H2,1-3H3.
What are the key properties of 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 348.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 146104045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).