N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide

C14H20BrN3O — CID 64980676

IUPACN-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(Br)cc2)C(C)CN1
InChIInChI=1S/C14H20BrN3O/c1-10-8-18(11(2)7-16-10)9-14(19)17-13-5-3-12(15)4-6-13/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyYCKHSUASKMRNGR-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.07
Rot. Bonds3

About N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide

N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide (PubChem CID 64980676) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
PubChem CID64980676
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(Br)cc2)C(C)CN1
InChIInChI=1S/C14H20BrN3O/c1-10-8-18(11(2)7-16-10)9-14(19)17-13-5-3-12(15)4-6-13/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyYCKHSUASKMRNGR-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 64980300
2-(2,5-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 64980832
2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 167910052
2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 64980495
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 120905888
2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 64980475
2-(2,5-dimethylpiperazin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 64980675
2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide
CID 64980506
2-(2,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64980273
1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785737
N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
CID 64980464

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide (CID 64980676) is N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide is CC1CN(CC(=O)Nc2ccc(Br)cc2)C(C)CN1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide?
The InChIKey is YCKHSUASKMRNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-10-8-18(11(2)7-16-10)9-14(19)17-13-5-3-12(15)4-6-13/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide?
N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide has a molecular weight of 326.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 64980676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).