3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one

C14H25NO2 — CID 10243338

IUPAC3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one
SMILESCCC1(CC)CC(CN2CCCCC2)OC1=O
InChIInChI=1S/C14H25NO2/c1-3-14(4-2)10-12(17-13(14)16)11-15-8-6-5-7-9-15/h12H,3-11H2,1-2H3
InChIKeyUGZDMICKIRQPSO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds4

About 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one

3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one (PubChem CID 10243338) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one
PubChem CID10243338
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one
SMILESCCC1(CC)CC(CN2CCCCC2)OC1=O
InChIInChI=1S/C14H25NO2/c1-3-14(4-2)10-12(17-13(14)16)11-15-8-6-5-7-9-15/h12H,3-11H2,1-2H3
InChIKeyUGZDMICKIRQPSO-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one?
The IUPAC name of 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one (CID 10243338) is 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one.
What is the SMILES notation for 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one?
The canonical SMILES for 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one is CCC1(CC)CC(CN2CCCCC2)OC1=O.
What is the InChIKey of 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one?
The InChIKey is UGZDMICKIRQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-14(4-2)10-12(17-13(14)16)11-15-8-6-5-7-9-15/h12H,3-11H2,1-2H3.
What are the key properties of 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one?
3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one is sourced from PubChem (CID 10243338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).