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

C24H26BrN3O3 — CID 44581160

IUPAC3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide
SMILESNC(=O)c1cccc(C2(C3CCN(Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1
InChIInChI=1S/C24H26BrN3O3/c25-20-6-4-16(5-7-20)15-28-12-9-18(10-13-28)24(11-8-21(29)27-23(24)31)19-3-1-2-17(14-19)22(26)30/h1-7,14,18H,8-13,15H2,(H2,26,30)(H,27,29,31)
InChIKeyBNIQGAKMYIPZLJ-UHFFFAOYSA-N
MW484.39 g/mol
LogP3.13
Rot. Bonds5

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

3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide (PubChem CID 44581160) has the molecular formula C24H26BrN3O3 and a molecular weight of 484.39 g/mol. Its IUPAC name is 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide
PubChem CID44581160
Molecular FormulaC24H26BrN3O3
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide
SMILESNC(=O)c1cccc(C2(C3CCN(Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1
InChIInChI=1S/C24H26BrN3O3/c25-20-6-4-16(5-7-20)15-28-12-9-18(10-13-28)24(11-8-21(29)27-23(24)31)19-3-1-2-17(14-19)22(26)30/h1-7,14,18H,8-13,15H2,(H2,26,30)(H,27,29,31)
InChIKeyBNIQGAKMYIPZLJ-UHFFFAOYSA-N
XLogP3.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
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 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide?
The IUPAC name of 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide (CID 44581160) is 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide.
What is the SMILES notation for 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide?
The canonical SMILES for 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide is NC(=O)c1cccc(C2(C3CCN(Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1.
What is the InChIKey of 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide?
The InChIKey is BNIQGAKMYIPZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O3/c25-20-6-4-16(5-7-20)15-28-12-9-18(10-13-28)24(11-8-21(29)27-23(24)31)19-3-1-2-17(14-19)22(26)30/h1-7,14,18H,8-13,15H2,(H2,26,30)(H,27,29,31).
What are the key properties of 3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide?
3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide has a molecular weight of 484.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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]benzamide is sourced from PubChem (CID 44581160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).