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

C13H15NO2 — CID 10176773

IUPAC(3S)-3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCC[C@@]1(c2ccccc2)CCC(=O)NC1=O
InChIInChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)/t13-/m0/s1
InChIKeyJMBQKKAJIKAWKF-ZDUSSCGKSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds2

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

(3S)-3-ethyl-3-phenylpiperidine-2,6-dione (PubChem CID 10176773) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (3S)-3-ethyl-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-ethyl-3-phenylpiperidine-2,6-dione
PubChem CID10176773
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(3S)-3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCC[C@@]1(c2ccccc2)CCC(=O)NC1=O
InChIInChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)/t13-/m0/s1
InChIKeyJMBQKKAJIKAWKF-ZDUSSCGKSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
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 (3S)-3-ethyl-3-phenylpiperidine-2,6-dione?
The IUPAC name of (3S)-3-ethyl-3-phenylpiperidine-2,6-dione (CID 10176773) is (3S)-3-ethyl-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-ethyl-3-phenylpiperidine-2,6-dione?
The canonical SMILES for (3S)-3-ethyl-3-phenylpiperidine-2,6-dione is CC[C@@]1(c2ccccc2)CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-ethyl-3-phenylpiperidine-2,6-dione?
The InChIKey is JMBQKKAJIKAWKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)/t13-/m0/s1.
What are the key properties of (3S)-3-ethyl-3-phenylpiperidine-2,6-dione?
(3S)-3-ethyl-3-phenylpiperidine-2,6-dione has a molecular weight of 217.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 10176773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).