3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one

C23H36N2O2 — CID 86273134

IUPAC3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccc3C(C)C)CC2)OC1=O
InChIInChI=1S/C23H36N2O2/c1-5-23(6-2)17-19(27-22(23)26)11-12-24-13-15-25(16-14-24)21-10-8-7-9-20(21)18(3)4/h7-10,18-19H,5-6,11-17H2,1-4H3
InChIKeyLJLVIQNXGSADCP-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.44
Rot. Bonds7

About 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one

3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one (PubChem CID 86273134) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one
PubChem CID86273134
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccc3C(C)C)CC2)OC1=O
InChIInChI=1S/C23H36N2O2/c1-5-23(6-2)17-19(27-22(23)26)11-12-24-13-15-25(16-14-24)21-10-8-7-9-20(21)18(3)4/h7-10,18-19H,5-6,11-17H2,1-4H3
InChIKeyLJLVIQNXGSADCP-UHFFFAOYSA-N
XLogP4.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-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-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one?
The IUPAC name of 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one (CID 86273134) is 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one.
What is the SMILES notation for 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one?
The canonical SMILES for 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one is CCC1(CC)CC(CCN2CCN(c3ccccc3C(C)C)CC2)OC1=O.
What is the InChIKey of 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one?
The InChIKey is LJLVIQNXGSADCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-5-23(6-2)17-19(27-22(23)26)11-12-24-13-15-25(16-14-24)21-10-8-7-9-20(21)18(3)4/h7-10,18-19H,5-6,11-17H2,1-4H3.
What are the key properties of 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one?
3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one has a molecular weight of 372.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]oxolan-2-one is sourced from PubChem (CID 86273134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).