3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one

C16H26N4O3 — CID 110396603

IUPAC3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCC(C)c1nnc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)o1
InChIInChI=1S/C16H26N4O3/c1-11(2)13-17-18-14(23-13)15(22)20-8-6-19(7-9-20)12(21)10-16(3,4)5/h11H,6-10H2,1-5H3
InChIKeyKQEULECQOHTKET-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.91
Rot. Bonds3

About 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one

3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 110396603) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID110396603
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCC(C)c1nnc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)o1
InChIInChI=1S/C16H26N4O3/c1-11(2)13-17-18-14(23-13)15(22)20-8-6-19(7-9-20)12(21)10-16(3,4)5/h11H,6-10H2,1-5H3
InChIKeyKQEULECQOHTKET-UHFFFAOYSA-N
XLogP1.91
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one (CID 110396603) is 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one is CC(C)c1nnc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)o1.
What is the InChIKey of 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is KQEULECQOHTKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11(2)13-17-18-14(23-13)15(22)20-8-6-19(7-9-20)12(21)10-16(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one?
3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 322.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110396603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).