3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione

C27H32N2O3 — CID 110561377

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione
SMILESCC(C)COc1ccc(N2C(=O)C(c3ccccc3)=C(N3CC(C)CC(C)C3)C2=O)cc1
InChIInChI=1S/C27H32N2O3/c1-18(2)17-32-23-12-10-22(11-13-23)29-26(30)24(21-8-6-5-7-9-21)25(27(29)31)28-15-19(3)14-20(4)16-28/h5-13,18-20H,14-17H2,1-4H3
InChIKeyRVRPZKOILLCDDH-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.98
Rot. Bonds6

About 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione

3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione (PubChem CID 110561377) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione
PubChem CID110561377
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione
SMILESCC(C)COc1ccc(N2C(=O)C(c3ccccc3)=C(N3CC(C)CC(C)C3)C2=O)cc1
InChIInChI=1S/C27H32N2O3/c1-18(2)17-32-23-12-10-22(11-13-23)29-26(30)24(21-8-6-5-7-9-21)25(27(29)31)28-15-19(3)14-20(4)16-28/h5-13,18-20H,14-17H2,1-4H3
InChIKeyRVRPZKOILLCDDH-UHFFFAOYSA-N
XLogP4.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.98
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

3-(3,5-dimethylpiperidin-1-yl)-1-(4-methylphenyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551828
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-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110557762
3-(3,5-dimethylpiperidin-1-yl)-1-(3-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110558486
1-(3,4-dimethylphenyl)-3-(3-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551710
3-(3,5-dimethylpiperidin-1-yl)-1,4-bis(4-methylphenyl)pyrrole-2,5-dione
CID 110574305
4-[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzonitrile
CID 110577686
3-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551810
1-(3,4-difluorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110548061
3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
CID 110559926
1,3-bis(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570834

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione (CID 110561377) is 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione is CC(C)COc1ccc(N2C(=O)C(c3ccccc3)=C(N3CC(C)CC(C)C3)C2=O)cc1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione?
The InChIKey is RVRPZKOILLCDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-18(2)17-32-23-12-10-22(11-13-23)29-26(30)24(21-8-6-5-7-9-21)25(27(29)31)28-15-19(3)14-20(4)16-28/h5-13,18-20H,14-17H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione?
3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione has a molecular weight of 432.56 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110561377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).