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

C15H18N2O2 — CID 106821036

IUPAC3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CCN(c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C15H18N2O2/c18-14-10-13(15(19)16-14)11-6-8-17(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,18,19)
InChIKeyHIEWUWZABGLASP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.57
Rot. Bonds2

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

3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 106821036) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID106821036
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CCN(c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C15H18N2O2/c18-14-10-13(15(19)16-14)11-6-8-17(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,18,19)
InChIKeyHIEWUWZABGLASP-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358
3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrolidine-2,5-dione
CID 10683508
3-piperidin-4-ylpyrrolidine-2,5-dione
CID 173255844
3-(1-ethylazepan-4-yl)pyrrolidine-2,5-dione
CID 65076585
ethane;4-phenylpiperazine-2,6-dione
CID 142623304
3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947390
4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde
CID 22945734
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
CID 110703260
ethane;4-methyl-1-phenylpiperidine
CID 143180672

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 106821036) is 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione is O=C1CC(C2CCN(c3ccccc3)CC2)C(=O)N1.
What is the InChIKey of 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is HIEWUWZABGLASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-10-13(15(19)16-14)11-6-8-17(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,18,19).
What are the key properties of 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106821036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).