3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione

C28H26N2O3 — CID 110561432

IUPAC3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCCCC2)C(=O)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H26N2O3/c31-27-25(22-12-6-2-7-13-22)26(29-18-8-3-9-19-29)28(32)30(27)23-14-16-24(17-15-23)33-20-21-10-4-1-5-11-21/h1-2,4-7,10-17H,3,8-9,18-20H2
InChIKeyHBPBZVGSQZXIHO-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.04
Rot. Bonds6

About 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione

3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110561432) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110561432
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCCCC2)C(=O)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H26N2O3/c31-27-25(22-12-6-2-7-13-22)26(29-18-8-3-9-19-29)28(32)30(27)23-14-16-24(17-15-23)33-20-21-10-4-1-5-11-21/h1-2,4-7,10-17H,3,8-9,18-20H2
InChIKeyHBPBZVGSQZXIHO-UHFFFAOYSA-N
XLogP5.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.04
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

1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile
CID 110561903
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558417
1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487
1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561726
4-[3-(4-ethoxyphenyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-1-yl]benzonitrile
CID 110547979
1-(4-methylphenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577575
3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110558320
1-(4-butylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547523
3-(4-ethylpiperazin-1-yl)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110558664
1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560737

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione (CID 110561432) is 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCCCC2)C(=O)N1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is HBPBZVGSQZXIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c31-27-25(22-12-6-2-7-13-22)26(29-18-8-3-9-19-29)28(32)30(27)23-14-16-24(17-15-23)33-20-21-10-4-1-5-11-21/h1-2,4-7,10-17H,3,8-9,18-20H2.
What are the key properties of 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 438.53 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110561432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).