(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione

C17H22N2O2 — CID 7358164

IUPAC(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](N2CCC(c3ccccc3)CC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-2-19-16(20)12-15(17(19)21)18-10-8-14(9-11-18)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t15-/m1/s1
InChIKeyMAKROFYIJPRYQJ-OAHLLOKOSA-N
MW286.37 g/mol
LogP2.01
Rot. Bonds3

About (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione

(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 7358164) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID7358164
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](N2CCC(c3ccccc3)CC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-2-19-16(20)12-15(17(19)21)18-10-8-14(9-11-18)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t15-/m1/s1
InChIKeyMAKROFYIJPRYQJ-OAHLLOKOSA-N
XLogP2.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1221385
(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7357524
1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride
CID 163326765
(3R)-1-ethyl-3-(4-phenylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7358163
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358060
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
2-(4-phenylpiperidin-1-yl)cyclohexan-1-one
CID 15925759
(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358160
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 1356764
(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione
CID 7340873

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 7358164) is (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione is CCN1C(=O)C[C@@H](N2CCC(c3ccccc3)CC2)C1=O.
What is the InChIKey of (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is MAKROFYIJPRYQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-19-16(20)12-15(17(19)21)18-10-8-14(9-11-18)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7358164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).