N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide

C17H24BrN3O2 — CID 18086253

IUPACN-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H24BrN3O2/c1-12(2)17(23)21-8-6-20(7-9-21)11-16(22)19-15-5-4-14(18)10-13(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,22)
InChIKeySNQGZDBWQSHPEJ-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.50
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide

N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 18086253) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
PubChem CID18086253
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H24BrN3O2/c1-12(2)17(23)21-8-6-20(7-9-21)11-16(22)19-15-5-4-14(18)10-13(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,22)
InChIKeySNQGZDBWQSHPEJ-UHFFFAOYSA-N
XLogP2.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086171
N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 5007859
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
N-(4-bromo-2-methylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide
CID 46802308
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18086210
ethyl 2-[4-[(4-bromo-2-methylphenyl)carbamoyl]piperazin-1-yl]acetate
CID 3721507
N-(4-bromo-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898013
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride
CID 119925366
N-(4-bromo-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944464

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (CID 18086253) is N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is Cc1cc(Br)ccc1NC(=O)CN1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is SNQGZDBWQSHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-12(2)17(23)21-8-6-20(7-9-21)11-16(22)19-15-5-4-14(18)10-13(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 382.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18086253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).