N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide

C14H20BrN3O — CID 62672270

IUPACN-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCNCC2C)ccc1Br
InChIInChI=1S/C14H20BrN3O/c1-10-7-12(3-4-13(10)15)17-14(19)9-18-6-5-16-8-11(18)2/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyXXHBIRYKKOEVKN-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.99
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide (PubChem CID 62672270) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
PubChem CID62672270
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCNCC2C)ccc1Br
InChIInChI=1S/C14H20BrN3O/c1-10-7-12(3-4-13(10)15)17-14(19)9-18-6-5-16-8-11(18)2/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyXXHBIRYKKOEVKN-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62671387
N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916490
N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916597
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399
N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755602
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704766
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide (CID 62672270) is N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide is Cc1cc(NC(=O)CN2CCNCC2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide?
The InChIKey is XXHBIRYKKOEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-10-7-12(3-4-13(10)15)17-14(19)9-18-6-5-16-8-11(18)2/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide has a molecular weight of 326.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 62672270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).