1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione

C28H27BrN2O3 — CID 5172400

IUPAC1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C28H27BrN2O3/c29-23-11-13-24(14-12-23)31-26(32)19-25(27(31)33)30-17-15-22(16-18-30)28(34,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,22,25,34H,15-19H2
InChIKeyMJWZEVSPMGXXMN-UHFFFAOYSA-N
MW519.44 g/mol
LogP4.73
Rot. Bonds5

About 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione

1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 5172400) has the molecular formula C28H27BrN2O3 and a molecular weight of 519.44 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID5172400
Molecular FormulaC28H27BrN2O3
Molecular Weight519.44 g/mol
Exact Mass518.12
IUPAC Name1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C28H27BrN2O3/c29-23-11-13-24(14-12-23)31-26(32)19-25(27(31)33)30-17-15-22(16-18-30)28(34,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,22,25,34H,15-19H2
InChIKeyMJWZEVSPMGXXMN-UHFFFAOYSA-N
XLogP4.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282119
(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282118
(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 1034992
1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546507
1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 3116096
1-[(3R)-1-(4-carboxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 871176
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
(3S)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 8008090
(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 7784115
4-[(3S)-3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 710147
1-[1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2858496
1-[(3R)-1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 1041753

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione (CID 5172400) is 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is MJWZEVSPMGXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27BrN2O3/c29-23-11-13-24(14-12-23)31-26(32)19-25(27(31)33)30-17-15-22(16-18-30)28(34,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,22,25,34H,15-19H2.
What are the key properties of 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 519.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 5172400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).