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

C24H38N2O2 — CID 118947131

IUPAC3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one
SMILESCCC1(CC)CC(CCCN2CCN(c3ccccc3C(C)C)CC2)OC1=O
InChIInChI=1S/C24H38N2O2/c1-5-24(6-2)18-20(28-23(24)27)10-9-13-25-14-16-26(17-15-25)22-12-8-7-11-21(22)19(3)4/h7-8,11-12,19-20H,5-6,9-10,13-18H2,1-4H3
InChIKeyPETUOYYVMNUYFW-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.83
Rot. Bonds8

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

3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one (PubChem CID 118947131) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one
PubChem CID118947131
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one
SMILESCCC1(CC)CC(CCCN2CCN(c3ccccc3C(C)C)CC2)OC1=O
InChIInChI=1S/C24H38N2O2/c1-5-24(6-2)18-20(28-23(24)27)10-9-13-25-14-16-26(17-15-25)22-12-8-7-11-21(22)19(3)4/h7-8,11-12,19-20H,5-6,9-10,13-18H2,1-4H3
InChIKeyPETUOYYVMNUYFW-UHFFFAOYSA-N
XLogP4.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one?
The IUPAC name of 3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one (CID 118947131) is 3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one.
What is the SMILES notation for 3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one?
The canonical SMILES for 3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one is CCC1(CC)CC(CCCN2CCN(c3ccccc3C(C)C)CC2)OC1=O.
What is the InChIKey of 3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one?
The InChIKey is PETUOYYVMNUYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-5-24(6-2)18-20(28-23(24)27)10-9-13-25-14-16-26(17-15-25)22-12-8-7-11-21(22)19(3)4/h7-8,11-12,19-20H,5-6,9-10,13-18H2,1-4H3.
What are the key properties of 3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one?
3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one has a molecular weight of 386.58 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]oxolan-2-one is sourced from PubChem (CID 118947131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).