6-ethoxy-1-(methoxymethyl)piperidin-2-one

C9H17NO3 — CID 135038800

IUPAC6-ethoxy-1-(methoxymethyl)piperidin-2-one
SMILESCCOC1CCCC(=O)N1COC
InChIInChI=1S/C9H17NO3/c1-3-13-9-6-4-5-8(11)10(9)7-12-2/h9H,3-7H2,1-2H3
InChIKeyTZYBFZCIIXQSKP-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.97
Rot. Bonds4

About 6-ethoxy-1-(methoxymethyl)piperidin-2-one

6-ethoxy-1-(methoxymethyl)piperidin-2-one (PubChem CID 135038800) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-ethoxy-1-(methoxymethyl)piperidin-2-one.

Molecular Properties

Compound Name6-ethoxy-1-(methoxymethyl)piperidin-2-one
PubChem CID135038800
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name6-ethoxy-1-(methoxymethyl)piperidin-2-one
SMILESCCOC1CCCC(=O)N1COC
InChIInChI=1S/C9H17NO3/c1-3-13-9-6-4-5-8(11)10(9)7-12-2/h9H,3-7H2,1-2H3
InChIKeyTZYBFZCIIXQSKP-UHFFFAOYSA-N
XLogP0.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(methoxymethyl)piperidin-2-one?
The IUPAC name of 6-ethoxy-1-(methoxymethyl)piperidin-2-one (CID 135038800) is 6-ethoxy-1-(methoxymethyl)piperidin-2-one.
What is the SMILES notation for 6-ethoxy-1-(methoxymethyl)piperidin-2-one?
The canonical SMILES for 6-ethoxy-1-(methoxymethyl)piperidin-2-one is CCOC1CCCC(=O)N1COC.
What is the InChIKey of 6-ethoxy-1-(methoxymethyl)piperidin-2-one?
The InChIKey is TZYBFZCIIXQSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-13-9-6-4-5-8(11)10(9)7-12-2/h9H,3-7H2,1-2H3.
What are the key properties of 6-ethoxy-1-(methoxymethyl)piperidin-2-one?
6-ethoxy-1-(methoxymethyl)piperidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(methoxymethyl)piperidin-2-one is sourced from PubChem (CID 135038800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).