3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one

C21H30N2O2 — CID 135337481

IUPAC3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CC3(C2)CN(c2ccccc2)C3)OC1=O
InChIInChI=1S/C21H30N2O2/c1-3-21(4-2)12-18(25-19(21)24)10-11-22-13-20(14-22)15-23(16-20)17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3
InChIKeyLJLCWZRSQCEMOL-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.32
Rot. Bonds6

About 3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one

3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one (PubChem CID 135337481) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one
PubChem CID135337481
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCN2CC3(C2)CN(c2ccccc2)C3)OC1=O
InChIInChI=1S/C21H30N2O2/c1-3-21(4-2)12-18(25-19(21)24)10-11-22-13-20(14-22)15-23(16-20)17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3
InChIKeyLJLCWZRSQCEMOL-UHFFFAOYSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one with MolForge

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Related Compounds

3,3-diethyl-5-(2-(4-(p-tolyl)piperazin-1-yl)ethyl)dihydrofuran-2(3H)-one
CID 81689891
3,3-diethyl-5-(2-(4-(o-tolyl)piperazin-1-yl)ethyl)dihydrofuran-2(3H)-one
CID 86273381
3,3-diethyl-5-(2-(4-phenylpiperazin-1-yl)ethyl)dihydrofuran-2(3H)-one
CID 86274341
3,3-Diethyl-dihydro-5-(3-(4-phenylpiperazin-1-yl)propyl)furan-2(3h)-one
CID 118947124
US10961249, Entry 1
CID 135338062
US10961249, Entry 11
CID 142436859
US9802924, Entry 22
CID 86274103
US9802924, Entry 12
CID 86274340
(5R)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
CID 122695686
(5S)-3,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
CID 122695687
3,3-Dimethyl-5-(2-(4-phenylpiperazin-1-yl)ethyl)dihydrofuran-2(3h)-one
CID 118947085
7-(2-(4-Phenylpiperazin-1-yl)ethyl)-6-oxaspiro[3.4]octan-5-one
CID 145040634

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one?
The IUPAC name of 3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one (CID 135337481) is 3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one.
What is the SMILES notation for 3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one?
The canonical SMILES for 3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one is CCC1(CC)CC(CCN2CC3(C2)CN(c2ccccc2)C3)OC1=O.
What is the InChIKey of 3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one?
The InChIKey is LJLCWZRSQCEMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-21(4-2)12-18(25-19(21)24)10-11-22-13-20(14-22)15-23(16-20)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-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one?
3,3-diethyl-5-[2-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one has a molecular weight of 342.48 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-(2-phenyl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]oxolan-2-one is sourced from PubChem (CID 135337481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).