N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride

C17H27BrClN3O — CID 119932900

IUPACN-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(Br)c(C)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26BrN3O.ClH/c1-3-10-21(15-6-8-19-9-7-15)12-17(22)20-14-4-5-16(18)13(2)11-14;/h4-5,11,15,19H,3,6-10,12H2,1-2H3,(H,20,22);1H
InChIKeyMANXHLRLEGHBGK-UHFFFAOYSA-N
MW404.78 g/mol
LogP3.58
Rot. Bonds6

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

N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride (PubChem CID 119932900) has the molecular formula C17H27BrClN3O and a molecular weight of 404.78 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
PubChem CID119932900
Molecular FormulaC17H27BrClN3O
Molecular Weight404.78 g/mol
Exact Mass403.10
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(Br)c(C)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26BrN3O.ClH/c1-3-10-21(15-6-8-19-9-7-15)12-17(22)20-14-4-5-16(18)13(2)11-14;/h4-5,11,15,19H,3,6-10,12H2,1-2H3,(H,20,22);1H
InChIKeyMANXHLRLEGHBGK-UHFFFAOYSA-N
XLogP3.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.78
LogP ≤ 53.58
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-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933101
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63636963
2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119932780
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921602
N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806990
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921603
N-(4-methoxyphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921557
N-(2-methoxy-5-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932950

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride (CID 119932900) is N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride is CCCN(CC(=O)Nc1ccc(Br)c(C)c1)C1CCNCC1.Cl.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride?
The InChIKey is MANXHLRLEGHBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O.ClH/c1-3-10-21(15-6-8-19-9-7-15)12-17(22)20-14-4-5-16(18)13(2)11-14;/h4-5,11,15,19H,3,6-10,12H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride?
N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride has a molecular weight of 404.78 g/mol, XLogP of 3.58, 6 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-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119932900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).