3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione

C17H21NO2 — CID 79318412

IUPAC3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione
SMILESCCC1(C2CC2)CC(=O)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-2-17(13-8-9-13)11-15(19)18-16(20)14(17)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,18,19,20)
InChIKeyMUYLEBJMSBDMRZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.70
Rot. Bonds4

About 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione

3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione (PubChem CID 79318412) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione
PubChem CID79318412
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione
SMILESCCC1(C2CC2)CC(=O)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-2-17(13-8-9-13)11-15(19)18-16(20)14(17)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,18,19,20)
InChIKeyMUYLEBJMSBDMRZ-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565591
9-benzyl-7-azaspiro[3.5]nonane-6,8-dione
CID 79317706
3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79317625
1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one
CID 66105478
1-benzyl-9-methylsulfonyl-2-azaspiro[4.4]nonan-3-one
CID 66104167
(3R,7S,10R,14S)-7,14-dibenzyl-3,10-bis(sulfanylmethyl)-1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone
CID 167097692
4-benzyl-3-ethylazetidin-2-one
CID 85185683
5-benzyl-2-prop-2-enyliminoimidazolidin-4-one
CID 136760003
3-benzyl-6-butan-2-ylpiperazine-2,5-dione
CID 14278866
(5R)-5-benzylpyrrolidin-2-one
CID 740530
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione?
The IUPAC name of 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione (CID 79318412) is 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione.
What is the SMILES notation for 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione?
The canonical SMILES for 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione is CCC1(C2CC2)CC(=O)NC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione?
The InChIKey is MUYLEBJMSBDMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-17(13-8-9-13)11-15(19)18-16(20)14(17)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,18,19,20).
What are the key properties of 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione?
3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione has a molecular weight of 271.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione is sourced from PubChem (CID 79318412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).