1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione

C27H32N2O3 — CID 110551744

IUPAC1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(c3ccc(OCC(C)C)cc3)=C(N3CCCCC3)C2=O)c1C
InChIInChI=1S/C27H32N2O3/c1-18(2)17-32-22-13-11-21(12-14-22)24-25(28-15-6-5-7-16-28)27(31)29(26(24)30)23-10-8-9-19(3)20(23)4/h8-14,18H,5-7,15-17H2,1-4H3
InChIKeyDSAKCWMAIGYIGO-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.11
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione

1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110551744) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110551744
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(c3ccc(OCC(C)C)cc3)=C(N3CCCCC3)C2=O)c1C
InChIInChI=1S/C27H32N2O3/c1-18(2)17-32-22-13-11-21(12-14-22)24-25(28-15-6-5-7-16-28)27(31)29(26(24)30)23-10-8-9-19(3)20(23)4/h8-14,18H,5-7,15-17H2,1-4H3
InChIKeyDSAKCWMAIGYIGO-UHFFFAOYSA-N
XLogP5.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110551860
1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110545069
1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110550976
4-[3-[4-(2-methylpropoxy)phenyl]-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-1-yl]benzonitrile
CID 110551873
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557771
1-(2,3-dimethylphenyl)-3-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110573815
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557775
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-ethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110546623
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551680
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551827
3-[4-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110551062
1-(3,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551646

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione (CID 110551744) is 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione is Cc1cccc(N2C(=O)C(c3ccc(OCC(C)C)cc3)=C(N3CCCCC3)C2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is DSAKCWMAIGYIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-18(2)17-32-22-13-11-21(12-14-22)24-25(28-15-6-5-7-16-28)27(31)29(26(24)30)23-10-8-9-19(3)20(23)4/h8-14,18H,5-7,15-17H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione?
1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 432.56 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110551744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).