(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione

C27H26ClN3O2 — CID 1238179

IUPAC(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C27H26ClN3O2/c28-22-12-7-13-23(18-22)31-25(32)19-24(27(31)33)29-14-16-30(17-15-29)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24,26H,14-17,19H2/t24-/m1/s1
InChIKeySTRJQOXQCHMZJQ-XMMPIXPASA-N
MW459.98 g/mol
LogP4.38
Rot. Bonds5

About (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione

(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 1238179) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID1238179
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC Name(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C27H26ClN3O2/c28-22-12-7-13-23(18-22)31-25(32)19-24(27(31)33)29-14-16-30(17-15-29)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24,26H,14-17,19H2/t24-/m1/s1
InChIKeySTRJQOXQCHMZJQ-XMMPIXPASA-N
XLogP4.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.38
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-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
(3R)-3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1388367
(3S)-3-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1388366
(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 793181
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 1292395
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
3-(4-benzhydrylpiperazin-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2849630
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2059465
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-[4-[chloro(difluoro)methoxy]phenyl]pyrrolidine-2,5-dione
CID 1038557
(3R)-1-(3-chlorophenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1255850

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione (CID 1238179) is (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is STRJQOXQCHMZJQ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H26ClN3O2/c28-22-12-7-13-23(18-22)31-25(32)19-24(27(31)33)29-14-16-30(17-15-29)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24,26H,14-17,19H2/t24-/m1/s1.
What are the key properties of (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 459.98 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1238179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).