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

C16H19BrN2O2 — CID 1034992

IUPAC(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1
InChIInChI=1S/C16H19BrN2O2/c1-11-6-8-18(9-7-11)14-10-15(20)19(16(14)21)13-4-2-12(17)3-5-13/h2-5,11,14H,6-10H2,1H3/t14-/m0/s1
InChIKeyQNIDXHBXCFZRMF-AWEZNQCLSA-N
MW351.24 g/mol
LogP2.81
Rot. Bonds2

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

(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 1034992) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID1034992
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1
InChIInChI=1S/C16H19BrN2O2/c1-11-6-8-18(9-7-11)14-10-15(20)19(16(14)21)13-4-2-12(17)3-5-13/h2-5,11,14H,6-10H2,1H3/t14-/m0/s1
InChIKeyQNIDXHBXCFZRMF-AWEZNQCLSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 43826833
1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 3116096
(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
(3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 27523171
1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 5172400
(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7332701
3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 4144237
1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546507
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111
(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 (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 1034992) is (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is CC1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1.
What is the InChIKey of (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is QNIDXHBXCFZRMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11-6-8-18(9-7-11)14-10-15(20)19(16(14)21)13-4-2-12(17)3-5-13/h2-5,11,14H,6-10H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 351.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1034992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).