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

C17H21NO2 — CID 79424206

IUPAC4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione
SMILESCCC1(C2CC2)CC(=O)NC(=O)C1c1cccc(C)c1
InChIInChI=1S/C17H21NO2/c1-3-17(13-7-8-13)10-14(19)18-16(20)15(17)12-6-4-5-11(2)9-12/h4-6,9,13,15H,3,7-8,10H2,1-2H3,(H,18,19,20)
InChIKeySPGSAMXVJXZWSE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.93
Rot. Bonds3

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

4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione (PubChem CID 79424206) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione
PubChem CID79424206
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione
SMILESCCC1(C2CC2)CC(=O)NC(=O)C1c1cccc(C)c1
InChIInChI=1S/C17H21NO2/c1-3-17(13-7-8-13)10-14(19)18-16(20)15(17)12-6-4-5-11(2)9-12/h4-6,9,13,15H,3,7-8,10H2,1-2H3,(H,18,19,20)
InChIKeySPGSAMXVJXZWSE-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione (CID 79424206) is 4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione is CCC1(C2CC2)CC(=O)NC(=O)C1c1cccc(C)c1.
What is the InChIKey of 4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione?
The InChIKey is SPGSAMXVJXZWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-17(13-7-8-13)10-14(19)18-16(20)15(17)12-6-4-5-11(2)9-12/h4-6,9,13,15H,3,7-8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione?
4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione has a molecular weight of 271.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 79424206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).