4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one

C15H22N4O4 — CID 146082794

IUPAC4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H22N4O4/c1-10(2)13-16-23-15(22)19(13)9-12(20)17-5-7-18(8-6-17)14(21)11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyNPBBHSIJTWXCSK-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.04
Rot. Bonds4

About 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one

4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 146082794) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
PubChem CID146082794
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H22N4O4/c1-10(2)13-16-23-15(22)19(13)9-12(20)17-5-7-18(8-6-17)14(21)11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyNPBBHSIJTWXCSK-UHFFFAOYSA-N
XLogP0.04
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one
CID 146082887

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one (CID 146082794) is 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one is CC(C)c1noc(=O)n1CC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is NPBBHSIJTWXCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-10(2)13-16-23-15(22)19(13)9-12(20)17-5-7-18(8-6-17)14(21)11-3-4-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 322.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146082794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).