(3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione

C27H25ClIN3O2 — CID 1388367

IUPAC(3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C27H25ClIN3O2/c28-21-8-6-20(7-9-21)26(19-4-2-1-3-5-19)31-16-14-30(15-17-31)24-18-25(33)32(27(24)34)23-12-10-22(29)11-13-23/h1-13,24,26H,14-18H2/t24-,26-/m1/s1
InChIKeyIFBGLGWKKHMAKD-AOYPEHQESA-N
MW585.87 g/mol
LogP4.98
Rot. Bonds5

About (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione

(3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione (PubChem CID 1388367) has the molecular formula C27H25ClIN3O2 and a molecular weight of 585.87 g/mol. Its IUPAC name is (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
PubChem CID1388367
Molecular FormulaC27H25ClIN3O2
Molecular Weight585.87 g/mol
Exact Mass585.07
IUPAC Name(3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C27H25ClIN3O2/c28-21-8-6-20(7-9-21)26(19-4-2-1-3-5-19)31-16-14-30(15-17-31)24-18-25(33)32(27(24)34)23-12-10-22(29)11-13-23/h1-13,24,26H,14-18H2/t24-,26-/m1/s1
InChIKeyIFBGLGWKKHMAKD-AOYPEHQESA-N
XLogP4.98
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.87
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1388366
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 1238179
3-(4-benzhydrylpiperazin-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2849630
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-[4-[chloro(difluoro)methoxy]phenyl]pyrrolidine-2,5-dione
CID 1038557
(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1288254
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 1292395
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione
CID 98124634
[2-(2-chlorophenyl)-2-oxoethyl] 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21171988
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)pyrrolidine-2,5-dione
CID 98058728
(3R)-3-(4-hydroxypiperidin-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1242406
3-(4-hydroxypiperidin-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 2882408

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione (CID 1388367) is (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1.
What is the InChIKey of (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione?
The InChIKey is IFBGLGWKKHMAKD-AOYPEHQESA-N. The full InChI is InChI=1S/C27H25ClIN3O2/c28-21-8-6-20(7-9-21)26(19-4-2-1-3-5-19)31-16-14-30(15-17-31)24-18-25(33)32(27(24)34)23-12-10-22(29)11-13-23/h1-13,24,26H,14-18H2/t24-,26-/m1/s1.
What are the key properties of (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione?
(3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione has a molecular weight of 585.87 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1388367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).