3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one

C13H23NO2 — CID 103057909

IUPAC3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one
SMILESCCC1CCN(CC2COCCC2=O)CC1
InChIInChI=1S/C13H23NO2/c1-2-11-3-6-14(7-4-11)9-12-10-16-8-5-13(12)15/h11-12H,2-10H2,1H3
InChIKeyXSPNYSDVJWJSAX-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.71
Rot. Bonds3

About 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one

3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one (PubChem CID 103057909) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one.

Molecular Properties

Compound Name3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one
PubChem CID103057909
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one
SMILESCCC1CCN(CC2COCCC2=O)CC1
InChIInChI=1S/C13H23NO2/c1-2-11-3-6-14(7-4-11)9-12-10-16-8-5-13(12)15/h11-12H,2-10H2,1H3
InChIKeyXSPNYSDVJWJSAX-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-one
CID 103057762
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-4-one
CID 103058077
3-(thiomorpholin-4-ylmethyl)oxan-4-one
CID 103057646
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-one
CID 103058042
3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-one
CID 103058177
3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one
CID 107228846
2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one
CID 130548344
4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 103502496
3-(2-propylsulfonylethyl)oxan-4-one
CID 106727100
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxan-4-one
CID 103058212
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-4-one
CID 103057804
3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one
CID 103057758

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one?
The IUPAC name of 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one (CID 103057909) is 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one.
What is the SMILES notation for 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one?
The canonical SMILES for 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one is CCC1CCN(CC2COCCC2=O)CC1.
What is the InChIKey of 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one?
The InChIKey is XSPNYSDVJWJSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-11-3-6-14(7-4-11)9-12-10-16-8-5-13(12)15/h11-12H,2-10H2,1H3.
What are the key properties of 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one?
3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one has a molecular weight of 225.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one is sourced from PubChem (CID 103057909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).