4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one

C14H22N4O4 — CID 146082887

IUPAC4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one
SMILESCC(=O)N1CCN(C(=O)Cn2c(C(C)(C)C)noc2=O)CC1
InChIInChI=1S/C14H22N4O4/c1-10(19)16-5-7-17(8-6-16)11(20)9-18-12(14(2,3)4)15-22-13(18)21/h5-9H2,1-4H3
InChIKeyBXPCNKOXGQDBPJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.18
Rot. Bonds2

About 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one

4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one (PubChem CID 146082887) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one
PubChem CID146082887
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one
SMILESCC(=O)N1CCN(C(=O)Cn2c(C(C)(C)C)noc2=O)CC1
InChIInChI=1S/C14H22N4O4/c1-10(19)16-5-7-17(8-6-16)11(20)9-18-12(14(2,3)4)15-22-13(18)21/h5-9H2,1-4H3
InChIKeyBXPCNKOXGQDBPJ-UHFFFAOYSA-N
XLogP-0.18
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

3-Tert-butyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
CID 146075504
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide
CID 146082713
3-Tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
CID 146082726
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide
CID 146082741
4-[2-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
CID 146082794
N,N-diethyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 146082825

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one (CID 146082887) is 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one is CC(=O)N1CCN(C(=O)Cn2c(C(C)(C)C)noc2=O)CC1.
What is the InChIKey of 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one?
The InChIKey is BXPCNKOXGQDBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-10(19)16-5-7-17(8-6-16)11(20)9-18-12(14(2,3)4)15-22-13(18)21/h5-9H2,1-4H3.
What are the key properties of 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one?
4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one has a molecular weight of 310.35 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146082887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).