3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C12H22N2O3 — CID 115102503

IUPAC3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCCN1CCCC(CN2C(=O)OCC2CO)C1
InChIInChI=1S/C12H22N2O3/c1-2-13-5-3-4-10(6-13)7-14-11(8-15)9-17-12(14)16/h10-11,15H,2-9H2,1H3
InChIKeyAVJDBMNATYNSRA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.53
Rot. Bonds4

About 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 115102503) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID115102503
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCCN1CCCC(CN2C(=O)OCC2CO)C1
InChIInChI=1S/C12H22N2O3/c1-2-13-5-3-4-10(6-13)7-14-11(8-15)9-17-12(14)16/h10-11,15H,2-9H2,1H3
InChIKeyAVJDBMNATYNSRA-UHFFFAOYSA-N
XLogP0.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-3-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102357
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
4-(hydroxymethyl)-3-(thiolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102359
4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 115102459
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933867
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 115102503) is 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is CCN1CCCC(CN2C(=O)OCC2CO)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is AVJDBMNATYNSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-13-5-3-4-10(6-13)7-14-11(8-15)9-17-12(14)16/h10-11,15H,2-9H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 242.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115102503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).