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

C25H35N3O4 — CID 110577159

IUPAC3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(CCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C25H35N3O4/c1-3-16-32-21-6-4-20(5-7-21)22-23(27-10-8-19(2)9-11-27)25(30)28(24(22)29)13-12-26-14-17-31-18-15-26/h4-7,19H,3,8-18H2,1-2H3
InChIKeyNXEXSKRSPNZQKA-UHFFFAOYSA-N
MW441.57 g/mol
LogP2.62
Rot. Bonds8

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

3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110577159) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110577159
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(CCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C25H35N3O4/c1-3-16-32-21-6-4-20(5-7-21)22-23(27-10-8-19(2)9-11-27)25(30)28(24(22)29)13-12-26-14-17-31-18-15-26/h4-7,19H,3,8-18H2,1-2H3
InChIKeyNXEXSKRSPNZQKA-UHFFFAOYSA-N
XLogP2.62
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-3-(4-methylpiperidin-1-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576912
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560151
1-[(4-methylphenyl)methyl]-3-(4-methylpiperidin-1-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576409
3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547159
3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110546725
3-piperidin-1-yl-4-(4-propoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110576662
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
1-[(4-chlorophenyl)methyl]-3-morpholin-4-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576392
3-chloro-1-(3-morpholin-4-ylpropyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584616
1-(3-butoxypropyl)-3-(4-ethylpiperazin-1-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577120
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577363
3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110546200

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione (CID 110577159) is 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(CCN3CCOCC3)C2=O)cc1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is NXEXSKRSPNZQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-3-16-32-21-6-4-20(5-7-21)22-23(27-10-8-19(2)9-11-27)25(30)28(24(22)29)13-12-26-14-17-31-18-15-26/h4-7,19H,3,8-18H2,1-2H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione?
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 441.57 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110577159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).