N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide

C16H24BrN3O — CID 63636963

IUPACN-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)c(C)c1)C1CCCNC1
InChIInChI=1S/C16H24BrN3O/c1-3-20(14-5-4-8-18-10-14)11-16(21)19-13-6-7-15(17)12(2)9-13/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyAHKOKPKHZADXNR-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.77
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide

N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide (PubChem CID 63636963) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
PubChem CID63636963
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)c(C)c1)C1CCCNC1
InChIInChI=1S/C16H24BrN3O/c1-3-20(14-5-4-8-18-10-14)11-16(21)19-13-6-7-15(17)12(2)9-13/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyAHKOKPKHZADXNR-UHFFFAOYSA-N
XLogP2.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921556
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
2-[ethyl(piperidin-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 63637467
N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932900
N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638162
2-[ethyl(piperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 63637463
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
CID 66183425
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299906
N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299902

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide (CID 63636963) is N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide is CCN(CC(=O)Nc1ccc(Br)c(C)c1)C1CCCNC1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide?
The InChIKey is AHKOKPKHZADXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-3-20(14-5-4-8-18-10-14)11-16(21)19-13-6-7-15(17)12(2)9-13/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide has a molecular weight of 354.29 g/mol, XLogP of 2.77, 5 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-[ethyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 63636963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).