3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione

C20H26N2O2 — CID 110559373

IUPAC3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccccc2)=C(N2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C20H26N2O2/c1-4-10-22-19(23)17(16-8-6-5-7-9-16)18(20(22)24)21-12-14(2)11-15(3)13-21/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeySKRRGPIGWGDMES-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.15
Rot. Bonds4

About 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione

3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione (PubChem CID 110559373) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
PubChem CID110559373
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccccc2)=C(N2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C20H26N2O2/c1-4-10-22-19(23)17(16-8-6-5-7-9-16)18(20(22)24)21-12-14(2)11-15(3)13-21/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeySKRRGPIGWGDMES-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
CID 110559926
3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110559556
3-(3,5-dimethylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560153
3-(3,5-dimethylpiperidin-1-yl)-4-(4-ethoxyphenyl)-1-octylpyrrole-2,5-dione
CID 110547175
3-(3,5-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558897
3-(3,5-dimethylpiperidin-1-yl)-1-octyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577178
N-[4-[4-(3,5-dimethylpiperidin-1-yl)-1-octyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563130
4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide
CID 110559840
1-butyl-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565793
1-benzyl-3-(3,5-dimethylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541203
1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559340
3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110572895

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione (CID 110559373) is 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(c2ccccc2)=C(N2CC(C)CC(C)C2)C1=O.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione?
The InChIKey is SKRRGPIGWGDMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-10-22-19(23)17(16-8-6-5-7-9-16)18(20(22)24)21-12-14(2)11-15(3)13-21/h5-9,14-15H,4,10-13H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione?
3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione has a molecular weight of 326.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 110559373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).