(3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione

C13H16N2O2 — CID 92966142

IUPAC(3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCC[C@@]1(c2ccccc2)C[C@H](N)C(=O)NC1=O
InChIInChI=1S/C13H16N2O2/c1-2-13(9-6-4-3-5-7-9)8-10(14)11(16)15-12(13)17/h3-7,10H,2,8,14H2,1H3,(H,15,16,17)/t10-,13-/m0/s1
InChIKeyRQJOABCLXUBEQN-GWCFXTLKSA-N
MW232.28 g/mol
LogP0.71
Rot. Bonds2

About (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione

(3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione (PubChem CID 92966142) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione
PubChem CID92966142
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCC[C@@]1(c2ccccc2)C[C@H](N)C(=O)NC1=O
InChIInChI=1S/C13H16N2O2/c1-2-13(9-6-4-3-5-7-9)8-10(14)11(16)15-12(13)17/h3-7,10H,2,8,14H2,1H3,(H,15,16,17)/t10-,13-/m0/s1
InChIKeyRQJOABCLXUBEQN-GWCFXTLKSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione
CID 92966143
N-[4-(3-ethyl-5-hydroxy-2,6-dioxopiperidin-3-yl)phenyl]acetamide
CID 14157934
1,3-diethyl-3-phenylazetidin-2-one
CID 137321499
1-amino-3-ethyl-3-phenylpiperidine-2,6-dione
CID 13052894
2-amino-4-butyl-4-phenylcyclohexan-1-one
CID 68697022
3-benzyl-3-phenylpyrrolidine-2,5-dione
CID 2843283
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
CID 22312377
(3S)-3-ethyl-3-phenylpiperazin-2-one
CID 94410316
ethane;3-fluoro-3-phenylcyclobutan-1-amine
CID 178166277
(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione
CID 921939

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione?
The IUPAC name of (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione (CID 92966142) is (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione?
The canonical SMILES for (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione is CC[C@@]1(c2ccccc2)C[C@H](N)C(=O)NC1=O.
What is the InChIKey of (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione?
The InChIKey is RQJOABCLXUBEQN-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-13(9-6-4-3-5-7-9)8-10(14)11(16)15-12(13)17/h3-7,10H,2,8,14H2,1H3,(H,15,16,17)/t10-,13-/m0/s1.
What are the key properties of (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione?
(3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione has a molecular weight of 232.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-amino-3-ethyl-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 92966142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).