(3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione

C15H18BrN3O2 — CID 1098265

IUPAC(3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1
InChIInChI=1S/C15H18BrN3O2/c1-17-5-7-18(8-6-17)13-10-14(20)19(15(13)21)12-4-2-3-11(16)9-12/h2-4,9,13H,5-8,10H2,1H3/t13-/m0/s1
InChIKeyDQBUFJBEPRYPGZ-ZDUSSCGKSA-N
MW352.23 g/mol
LogP1.33
Rot. Bonds2

About (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione

(3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 1098265) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID1098265
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name(3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1
InChIInChI=1S/C15H18BrN3O2/c1-17-5-7-18(8-6-17)13-10-14(20)19(15(13)21)12-4-2-3-11(16)9-12/h2-4,9,13H,5-8,10H2,1H3/t13-/m0/s1
InChIKeyDQBUFJBEPRYPGZ-ZDUSSCGKSA-N
XLogP1.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.33
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-[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
1-(3-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 2835886
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
ethyl 1-[(3R)-1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 6550392
1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
CID 61036556
(3S)-3-(4-methylpiperazin-1-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 1078963
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111
(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-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 1098265) is (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is CN1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1.
What is the InChIKey of (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is DQBUFJBEPRYPGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-17-5-7-18(8-6-17)13-10-14(20)19(15(13)21)12-4-2-3-11(16)9-12/h2-4,9,13H,5-8,10H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
(3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 352.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1098265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).