4,4-dimethoxypiperidin-2-one

C7H13NO3 — CID 150731285

IUPAC4,4-dimethoxypiperidin-2-one
SMILESCOC1(OC)CCNC(=O)C1
InChIInChI=1S/C7H13NO3/c1-10-7(11-2)3-4-8-6(9)5-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyJRXAQBNYHHYDLU-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.11
Rot. Bonds2

About 4,4-dimethoxypiperidin-2-one

4,4-dimethoxypiperidin-2-one (PubChem CID 150731285) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4,4-dimethoxypiperidin-2-one.

Molecular Properties

Compound Name4,4-dimethoxypiperidin-2-one
PubChem CID150731285
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name4,4-dimethoxypiperidin-2-one
SMILESCOC1(OC)CCNC(=O)C1
InChIInChI=1S/C7H13NO3/c1-10-7(11-2)3-4-8-6(9)5-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyJRXAQBNYHHYDLU-UHFFFAOYSA-N
XLogP-0.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxypiperidin-2-one?
The IUPAC name of 4,4-dimethoxypiperidin-2-one (CID 150731285) is 4,4-dimethoxypiperidin-2-one.
What is the SMILES notation for 4,4-dimethoxypiperidin-2-one?
The canonical SMILES for 4,4-dimethoxypiperidin-2-one is COC1(OC)CCNC(=O)C1.
What is the InChIKey of 4,4-dimethoxypiperidin-2-one?
The InChIKey is JRXAQBNYHHYDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-7(11-2)3-4-8-6(9)5-7/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 4,4-dimethoxypiperidin-2-one?
4,4-dimethoxypiperidin-2-one has a molecular weight of 159.19 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxypiperidin-2-one is sourced from PubChem (CID 150731285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).