2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one

C17H31NO3 — CID 79912814

IUPAC2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one
SMILESCCCOC1CCCN(CC2C(=O)C(C)(C)OC2(C)C)C1
InChIInChI=1S/C17H31NO3/c1-6-10-20-13-8-7-9-18(11-13)12-14-15(19)17(4,5)21-16(14,2)3/h13-14H,6-12H2,1-5H3
InChIKeyUEMAEWRGACBOTC-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.65
Rot. Bonds5

About 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one (PubChem CID 79912814) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one
PubChem CID79912814
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one
SMILESCCCOC1CCCN(CC2C(=O)C(C)(C)OC2(C)C)C1
InChIInChI=1S/C17H31NO3/c1-6-10-20-13-8-7-9-18(11-13)12-14-15(19)17(4,5)21-16(14,2)3/h13-14H,6-12H2,1-5H3
InChIKeyUEMAEWRGACBOTC-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one (CID 79912814) is 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one is CCCOC1CCCN(CC2C(=O)C(C)(C)OC2(C)C)C1.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one?
The InChIKey is UEMAEWRGACBOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-6-10-20-13-8-7-9-18(11-13)12-14-15(19)17(4,5)21-16(14,2)3/h13-14H,6-12H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one has a molecular weight of 297.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one is sourced from PubChem (CID 79912814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).