N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide

C17H25BrN4O3S — CID 2991371

IUPACN-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)N2CCCCC2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H25BrN4O3S/c18-15-4-6-16(7-5-15)19-17(23)14-20-10-12-22(13-11-20)26(24,25)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2,(H,19,23)
InChIKeyUDVJHGMHEFDERU-UHFFFAOYSA-N
MW445.38 g/mol
LogP1.74
Rot. Bonds5

About N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide

N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 2991371) has the molecular formula C17H25BrN4O3S and a molecular weight of 445.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID2991371
Molecular FormulaC17H25BrN4O3S
Molecular Weight445.38 g/mol
Exact Mass444.08
IUPAC NameN-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)N2CCCCC2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H25BrN4O3S/c18-15-4-6-16(7-5-15)19-17(23)14-20-10-12-22(13-11-20)26(24,25)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2,(H,19,23)
InChIKeyUDVJHGMHEFDERU-UHFFFAOYSA-N
XLogP1.74
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
N~1~-(4-bromophenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1288007
N-(2-bromophenyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 2404945
N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 16195210
N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 772966
N-(4-bromophenyl)-2-morpholinoacetamide
CID 687266
1-Piperidineacetamide, N-(3-bromophenyl)-
CID 969575
N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 991645
N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1094961
N-(4-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1095013
N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide Hydrochloride
CID 2902775
N-(4-bromophenyl)-2-(4-methyl-1-piperazinyl)-2-thioxoacetamide
CID 2977865

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide (CID 2991371) is N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide is O=C(CN1CCN(S(=O)(=O)N2CCCCC2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is UDVJHGMHEFDERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN4O3S/c18-15-4-6-16(7-5-15)19-17(23)14-20-10-12-22(13-11-20)26(24,25)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2,(H,19,23).
What are the key properties of N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide?
N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 445.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2991371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).