1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione

C24H26BrN3O2 — CID 2929916

IUPAC1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C3CCc4ccccc4C3)CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C24H26BrN3O2/c25-19-6-9-20(10-7-19)28-23(29)16-22(24(28)30)27-13-11-26(12-14-27)21-8-5-17-3-1-2-4-18(17)15-21/h1-4,6-7,9-10,21-22H,5,8,11-16H2
InChIKeySIFJBXUNUJPVBI-UHFFFAOYSA-N
MW468.40 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione

1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2929916) has the molecular formula C24H26BrN3O2 and a molecular weight of 468.40 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2929916
Molecular FormulaC24H26BrN3O2
Molecular Weight468.40 g/mol
Exact Mass467.12
IUPAC Name1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C3CCc4ccccc4C3)CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C24H26BrN3O2/c25-19-6-9-20(10-7-19)28-23(29)16-22(24(28)30)27-13-11-26(12-14-27)21-8-5-17-3-1-2-4-18(17)15-21/h1-4,6-7,9-10,21-22H,5,8,11-16H2
InChIKeySIFJBXUNUJPVBI-UHFFFAOYSA-N
XLogP3.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2929916) is 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(C3CCc4ccccc4C3)CC2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is SIFJBXUNUJPVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O2/c25-19-6-9-20(10-7-19)28-23(29)16-22(24(28)30)27-13-11-26(12-14-27)21-8-5-17-3-1-2-4-18(17)15-21/h1-4,6-7,9-10,21-22H,5,8,11-16H2.
What are the key properties of 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 468.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2929916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).