3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione

C17H22N2O2 — CID 114697465

IUPAC3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(C2(C)CCNCC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-16(8-10-18-11-9-16)19-14(20)12-17(2,15(19)21)13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3
InChIKeyNEMCUCRXHOSDLN-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.85
Rot. Bonds2

About 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione

3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 114697465) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione
PubChem CID114697465
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(C2(C)CCNCC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-16(8-10-18-11-9-16)19-14(20)12-17(2,15(19)21)13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3
InChIKeyNEMCUCRXHOSDLN-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.85
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

4,4-dimethyl-1-(4-methylpiperidin-4-yl)piperidine-2,6-dione
CID 114697504
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid
CID 43437460
ethane;4-methyl-4-phenylpiperidine
CID 91476557
1,3-dimethyl-3-phenylpiperidine-2,6-dione
CID 13260886
3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
CID 114697546
4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione
CID 103430987
1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 60886395
1-(1-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 65191301
1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 55033422
3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 62663417

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione (CID 114697465) is 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione is CC1(c2ccccc2)CC(=O)N(C2(C)CCNCC2)C1=O.
What is the InChIKey of 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is NEMCUCRXHOSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-16(8-10-18-11-9-16)19-14(20)12-17(2,15(19)21)13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione?
3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 114697465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).