3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione

C15H19NO3 — CID 79320679

IUPAC3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1ccc(COC)cc1
InChIInChI=1S/C15H19NO3/c1-3-12-13(8-14(17)16-15(12)18)11-6-4-10(5-7-11)9-19-2/h4-7,12-13H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyCNAMGNWUFLQZMT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.99
Rot. Bonds4

About 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione

3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione (PubChem CID 79320679) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione
PubChem CID79320679
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1ccc(COC)cc1
InChIInChI=1S/C15H19NO3/c1-3-12-13(8-14(17)16-15(12)18)11-6-4-10(5-7-11)9-19-2/h4-7,12-13H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyCNAMGNWUFLQZMT-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione (CID 79320679) is 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione is CCC1C(=O)NC(=O)CC1c1ccc(COC)cc1.
What is the InChIKey of 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione?
The InChIKey is CNAMGNWUFLQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-12-13(8-14(17)16-15(12)18)11-6-4-10(5-7-11)9-19-2/h4-7,12-13H,3,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione?
3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione has a molecular weight of 261.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-(methoxymethyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 79320679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).