3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione

C23H32N2O3 — CID 110577195

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(N3CC(C)CC(C)C3)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C23H32N2O3/c1-6-11-28-19-9-7-18(8-10-19)20-21(23(27)25(15(2)3)22(20)26)24-13-16(4)12-17(5)14-24/h7-10,15-17H,6,11-14H2,1-5H3
InChIKeyLGAJMLNTPZFBMN-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.94
Rot. Bonds6

About 3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione

3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110577195) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110577195
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(N3CC(C)CC(C)C3)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C23H32N2O3/c1-6-11-28-19-9-7-18(8-10-19)20-21(23(27)25(15(2)3)22(20)26)24-13-16(4)12-17(5)14-24/h7-10,15-17H,6,11-14H2,1-5H3
InChIKeyLGAJMLNTPZFBMN-UHFFFAOYSA-N
XLogP3.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.94
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-octyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577178
4-[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzonitrile
CID 110577686
3-(3,5-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577232
3-hydroxy-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582408
3-(3,5-dimethylpiperidin-1-yl)-4-(4-methoxyphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110555605
3-(3,5-dimethylpiperidin-1-yl)-4-(4-ethoxyphenyl)-1-octylpyrrole-2,5-dione
CID 110547175
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-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione
CID 110561377
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551680
1-(3,4-difluorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110548061
1-(3-butoxypropyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577119
3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577084

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione (CID 110577195) is 3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccc(C2=C(N3CC(C)CC(C)C3)C(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is LGAJMLNTPZFBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-6-11-28-19-9-7-18(8-10-19)20-21(23(27)25(15(2)3)22(20)26)24-13-16(4)12-17(5)14-24/h7-10,15-17H,6,11-14H2,1-5H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
3-(3,5-dimethylpiperidin-1-yl)-1-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 384.52 g/mol, XLogP of 3.94, 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-propan-2-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110577195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).