3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione

C22H29N3O3 — CID 110560151

IUPAC3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
SMILESCC1CCN(C2=C(c3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)CC1
InChIInChI=1S/C22H29N3O3/c1-17-7-9-24(10-8-17)20-19(18-5-3-2-4-6-18)21(26)25(22(20)27)12-11-23-13-15-28-16-14-23/h2-6,17H,7-16H2,1H3
InChIKeyBYOMKJIMSRZINZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.83
Rot. Bonds5

About 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione

3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110560151) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
PubChem CID110560151
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
SMILESCC1CCN(C2=C(c3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)CC1
InChIInChI=1S/C22H29N3O3/c1-17-7-9-24(10-8-17)20-19(18-5-3-2-4-6-18)21(26)25(22(20)27)12-11-23-13-15-28-16-14-23/h2-6,17H,7-16H2,1H3
InChIKeyBYOMKJIMSRZINZ-UHFFFAOYSA-N
XLogP1.83
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560153
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577159
1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559416
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110560193
1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559521
3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110544389
1-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559098
3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110573107
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110558845
3-(3,5-dimethylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541862
3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110546200
1-(2-methoxyethyl)-3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110572522

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione (CID 110560151) is 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione is CC1CCN(C2=C(c3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is BYOMKJIMSRZINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-7-9-24(10-8-17)20-19(18-5-3-2-4-6-18)21(26)25(22(20)27)12-11-23-13-15-28-16-14-23/h2-6,17H,7-16H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione?
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 383.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).