4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione

C16H21NO3 — CID 79435875

IUPAC4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione
SMILESCCC1(COC)CC(=O)NC(=O)C1c1ccc(C)cc1
InChIInChI=1S/C16H21NO3/c1-4-16(10-20-3)9-13(18)17-15(19)14(16)12-7-5-11(2)6-8-12/h5-8,14H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyDPDWTQWDLVZLQD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.17
Rot. Bonds4

About 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione

4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione (PubChem CID 79435875) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione
PubChem CID79435875
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione
SMILESCCC1(COC)CC(=O)NC(=O)C1c1ccc(C)cc1
InChIInChI=1S/C16H21NO3/c1-4-16(10-20-3)9-13(18)17-15(19)14(16)12-7-5-11(2)6-8-12/h5-8,14H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyDPDWTQWDLVZLQD-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione
CID 79432286
4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione
CID 79454730
4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79437017
11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79431545
4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79424206
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione
CID 80558885
5-(4-fluorophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79430176
5-(4-bromophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79429863
9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565611
3-ethyl-3-methyl-2-(4-methylphenyl)azetidine
CID 130575152
4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione
CID 79437320

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione (CID 79435875) is 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione is CCC1(COC)CC(=O)NC(=O)C1c1ccc(C)cc1.
What is the InChIKey of 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione?
The InChIKey is DPDWTQWDLVZLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-16(10-20-3)9-13(18)17-15(19)14(16)12-7-5-11(2)6-8-12/h5-8,14H,4,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione?
4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione has a molecular weight of 275.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 79435875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).