N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide

C24H31BrClN3O2 — CID 157210502

IUPACN-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide
SMILESO=C(CC12CC3CC(C1)C(C3)C2)NCC(=O)N1CCN(Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C24H31BrClN3O2/c25-20-1-2-21(26)19(9-20)15-28-3-5-29(6-4-28)23(31)14-27-22(30)13-24-10-16-7-17(11-24)18(8-16)12-24/h1-2,9,16-18H,3-8,10-15H2,(H,27,30)
InChIKeyARVLBOOFQLHHFZ-UHFFFAOYSA-N
MW508.89 g/mol
LogP4.08
Rot. Bonds6

About N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide

N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide (PubChem CID 157210502) has the molecular formula C24H31BrClN3O2 and a molecular weight of 508.89 g/mol. Its IUPAC name is N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide
PubChem CID157210502
Molecular FormulaC24H31BrClN3O2
Molecular Weight508.89 g/mol
Exact Mass507.13
IUPAC NameN-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide
SMILESO=C(CC12CC3CC(C1)C(C3)C2)NCC(=O)N1CCN(Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C24H31BrClN3O2/c25-20-1-2-21(26)19(9-20)15-28-3-5-29(6-4-28)23(31)14-27-22(30)13-24-10-16-7-17(11-24)18(8-16)12-24/h1-2,9,16-18H,3-8,10-15H2,(H,27,30)
InChIKeyARVLBOOFQLHHFZ-UHFFFAOYSA-N
XLogP4.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide with MolForge

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Related Compounds

methyl 4-[[2-[[4-[2-[[2-(1-tricyclo[3.3.1.03,7]nonanyl)acetyl]amino]acetyl]piperazin-1-yl]methyl]phenoxy]methyl]benzoate
CID 123192640
2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide
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1-[4-[(5-bromo-2-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
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CID 167802504
2-(1-adamantyl)-N-[2-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 55949962
2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 166638870
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55355829
1-[(5-bromo-2-chlorophenyl)methyl]azetidine
CID 126992141
2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]acetamide
CID 9226367
2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide?
The IUPAC name of N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide (CID 157210502) is N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide.
What is the SMILES notation for N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide?
The canonical SMILES for N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide is O=C(CC12CC3CC(C1)C(C3)C2)NCC(=O)N1CCN(Cc2cc(Br)ccc2Cl)CC1.
What is the InChIKey of N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide?
The InChIKey is ARVLBOOFQLHHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrClN3O2/c25-20-1-2-21(26)19(9-20)15-28-3-5-29(6-4-28)23(31)14-27-22(30)13-24-10-16-7-17(11-24)18(8-16)12-24/h1-2,9,16-18H,3-8,10-15H2,(H,27,30).
What are the key properties of N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide?
N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide has a molecular weight of 508.89 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5-bromo-2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide is sourced from PubChem (CID 157210502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).