(3S)-3-ethyl-3-methylpiperidine-2,6-dione

C8H13NO2 — CID 71423308

IUPAC(3S)-3-ethyl-3-methylpiperidine-2,6-dione
SMILESCC[C@@]1(C)CCC(=O)NC1=O
InChIInChI=1S/C8H13NO2/c1-3-8(2)5-4-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)/t8-/m0/s1
InChIKeyNTVHPNIYLWFSOL-QMMMGPOBSA-N
MW155.20 g/mol
LogP0.84
Rot. Bonds1

About (3S)-3-ethyl-3-methylpiperidine-2,6-dione

(3S)-3-ethyl-3-methylpiperidine-2,6-dione (PubChem CID 71423308) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3S)-3-ethyl-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-ethyl-3-methylpiperidine-2,6-dione
PubChem CID71423308
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3S)-3-ethyl-3-methylpiperidine-2,6-dione
SMILESCC[C@@]1(C)CCC(=O)NC1=O
InChIInChI=1S/C8H13NO2/c1-3-8(2)5-4-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)/t8-/m0/s1
InChIKeyNTVHPNIYLWFSOL-QMMMGPOBSA-N
XLogP0.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.84
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

Bemegride
CID 2310
8-Azaspiro(4.5)decane-7,9-dione
CID 136843
4,4-Dimethylpiperidine-2,6-dione
CID 14292
3-Azaspiro(5.5)undecane-2,4-dione
CID 14324
4-Methyl-2,6-piperidinedione
CID 95858
4-Methyl-4-(1-methylethyl)-2,6-piperidinedione
CID 70778
Glutarimide, 3-ethyl-
CID 3060768
3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-methyl-4-propyl-
CID 95856
Glutarimide, 2,2-diethyl-
CID 199888
Glutarimide, 3-methyl-3-propyl-
CID 95853
3,3-Dimethyl-2,6-piperidinedione
CID 121048
2,6-Piperidinedione, 3-ethyl-3-methyl-
CID 201077

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-3-methylpiperidine-2,6-dione?
The IUPAC name of (3S)-3-ethyl-3-methylpiperidine-2,6-dione (CID 71423308) is (3S)-3-ethyl-3-methylpiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-ethyl-3-methylpiperidine-2,6-dione?
The canonical SMILES for (3S)-3-ethyl-3-methylpiperidine-2,6-dione is CC[C@@]1(C)CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-ethyl-3-methylpiperidine-2,6-dione?
The InChIKey is NTVHPNIYLWFSOL-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-8(2)5-4-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)/t8-/m0/s1.
What are the key properties of (3S)-3-ethyl-3-methylpiperidine-2,6-dione?
(3S)-3-ethyl-3-methylpiperidine-2,6-dione has a molecular weight of 155.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 71423308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).