3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide

C29H36BrN5O3 — CID 44580797

IUPAC3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide
SMILESCN(C(=O)c1cccc(C2(C3CCN(Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1)N1CCNCC1
InChIInChI=1S/C29H36BrN5O3/c1-33(35-17-13-31-14-18-35)27(37)22-3-2-4-24(19-22)29(12-9-26(36)32-28(29)38)23-10-15-34(16-11-23)20-21-5-7-25(30)8-6-21/h2-8,19,23,31H,9-18,20H2,1H3,(H,32,36,38)
InChIKeyNHKQPTYZGHQVNO-UHFFFAOYSA-N
MW582.54 g/mol
LogP2.93
Rot. Bonds6

About 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide

3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide (PubChem CID 44580797) has the molecular formula C29H36BrN5O3 and a molecular weight of 582.54 g/mol. Its IUPAC name is 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide
PubChem CID44580797
Molecular FormulaC29H36BrN5O3
Molecular Weight582.54 g/mol
Exact Mass581.20
IUPAC Name3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide
SMILESCN(C(=O)c1cccc(C2(C3CCN(Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1)N1CCNCC1
InChIInChI=1S/C29H36BrN5O3/c1-33(35-17-13-31-14-18-35)27(37)22-3-2-4-24(19-22)29(12-9-26(36)32-28(29)38)23-10-15-34(16-11-23)20-21-5-7-25(30)8-6-21/h2-8,19,23,31H,9-18,20H2,1H3,(H,32,36,38)
InChIKeyNHKQPTYZGHQVNO-UHFFFAOYSA-N
XLogP2.93
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.54
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide?
The IUPAC name of 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide (CID 44580797) is 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide?
The canonical SMILES for 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide is CN(C(=O)c1cccc(C2(C3CCN(Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1)N1CCNCC1.
What is the InChIKey of 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide?
The InChIKey is NHKQPTYZGHQVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36BrN5O3/c1-33(35-17-13-31-14-18-35)27(37)22-3-2-4-24(19-22)29(12-9-26(36)32-28(29)38)23-10-15-34(16-11-23)20-21-5-7-25(30)8-6-21/h2-8,19,23,31H,9-18,20H2,1H3,(H,32,36,38).
What are the key properties of 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide?
3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide has a molecular weight of 582.54 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-methyl-N-piperazin-1-ylbenzamide is sourced from PubChem (CID 44580797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).