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

C20H30N2O2 — CID 86274341

IUPAC3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccc3)CC2)OC1=O
InChIInChI=1S/C20H30N2O2/c1-3-20(4-2)16-18(24-19(20)23)10-11-21-12-14-22(15-13-21)17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3
InChIKeyQPEAHEGNDXBFIU-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.32
Rot. Bonds6

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

3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one (PubChem CID 86274341) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
PubChem CID86274341
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccc3)CC2)OC1=O
InChIInChI=1S/C20H30N2O2/c1-3-20(4-2)16-18(24-19(20)23)10-11-21-12-14-22(15-13-21)17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3
InChIKeyQPEAHEGNDXBFIU-UHFFFAOYSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-diethyl-5-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)dihydrofuran-2(3H)-one
CID 81689891
5-(2-(4-(2,4-dimethylphenyl)piperazin-1-yl)ethyl)-3,3-diethyldihydrofuran-2(3H)-one
CID 86273133
3,3-diethyl-5-(2-(4-(2-isopropylphenyl)piperazin-1-yl)ethyl)dihydrofuran-2(3H)-one
CID 86273134
3,3-diethyl-5-(2-(4-(o-tolyl)piperazin-1-yl)ethyl)dihydrofuran-2(3H)-one
CID 86273381
4-(4-(2-(4,4-Diethyl-5-oxotetrahydrofuran-2-yl)ethyl)piperazin-1-yl)benzonitrile
CID 86273860
3,3-Diethyl-dihydro-5-(3-(4-phenylpiperazin-1-yl)propyl)furan-2(3h)-one
CID 118947124
US10961249, Entry 15
CID 135337481
US11220505, Entry 16
CID 135337943
US10961249, Entry 1
CID 135338062
US10961249, Entry 11
CID 142436859
US9802924, Entry 29
CID 86272661
5-Methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one
CID 71461430

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The IUPAC name of 3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one (CID 86274341) is 3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one.
What is the SMILES notation for 3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The canonical SMILES for 3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one is CCC1(CC)CC(CCN2CCN(c3ccccc3)CC2)OC1=O.
What is the InChIKey of 3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
The InChIKey is QPEAHEGNDXBFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-20(4-2)16-18(24-19(20)23)10-11-21-12-14-22(15-13-21)17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3.
What are the key properties of 3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one?
3,3-diethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one has a molecular weight of 330.47 g/mol, XLogP of 3.32, 6 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-phenylpiperazin-1-yl)ethyl]oxolan-2-one is sourced from PubChem (CID 86274341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).