1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one

C12H19NO4 — CID 54977254

IUPAC1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)COCC2CCOC2)CC1
InChIInChI=1S/C12H19NO4/c14-11-1-4-13(5-2-11)12(15)9-17-8-10-3-6-16-7-10/h10H,1-9H2
InChIKeyUBFZGKQTUPZIEY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.23
Rot. Bonds4

About 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one

1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one (PubChem CID 54977254) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one
PubChem CID54977254
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)COCC2CCOC2)CC1
InChIInChI=1S/C12H19NO4/c14-11-1-4-13(5-2-11)12(15)9-17-8-10-3-6-16-7-10/h10H,1-9H2
InChIKeyUBFZGKQTUPZIEY-UHFFFAOYSA-N
XLogP0.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-ylmethoxy)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 154748804
2-[[(3R)-oxolan-3-yl]methoxy]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 95349103
2-(oxolan-3-ylmethoxy)acetohydrazide
CID 63570032
1-[2-(oxan-4-ylsulfonyl)acetyl]piperidin-4-one
CID 64636788
1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one
CID 63712793
3-(2-bromoprop-2-enoxymethyl)oxolane
CID 131211912
1-[2-(oxan-4-ylsulfinyl)acetyl]piperidin-4-one
CID 64640780
2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone
CID 99782856
4-(oxolan-3-ylmethoxy)but-2-enoic acid
CID 76941062
1-(oxolan-3-ylmethyl)pyrrolidin-3-one
CID 62823822
1-(3,4-difluorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977402
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 83095437

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one (CID 54977254) is 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one is O=C1CCN(C(=O)COCC2CCOC2)CC1.
What is the InChIKey of 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one?
The InChIKey is UBFZGKQTUPZIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11-1-4-13(5-2-11)12(15)9-17-8-10-3-6-16-7-10/h10H,1-9H2.
What are the key properties of 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one?
1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one has a molecular weight of 241.29 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one is sourced from PubChem (CID 54977254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).