2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide

C15H22BrN3O — CID 81459153

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccc(Br)cc2)CCC1N
InChIInChI=1S/C15H22BrN3O/c1-2-11-9-19(8-7-14(11)17)10-15(20)18-13-5-3-12(16)4-6-13/h3-6,11,14H,2,7-10,17H2,1H3,(H,18,20)
InChIKeyHJBLSDQINITXDL-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide

2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide (PubChem CID 81459153) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
PubChem CID81459153
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccc(Br)cc2)CCC1N
InChIInChI=1S/C15H22BrN3O/c1-2-11-9-19(8-7-14(11)17)10-15(20)18-13-5-3-12(16)4-6-13/h3-6,11,14H,2,7-10,17H2,1H3,(H,18,20)
InChIKeyHJBLSDQINITXDL-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 81452018
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 81452927
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate
CID 81460877
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611369
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 81451615
2-(4-amino-3-ethylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 81460476
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide (CID 81459153) is 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide is CCC1CN(CC(=O)Nc2ccc(Br)cc2)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is HJBLSDQINITXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-11-9-19(8-7-14(11)17)10-15(20)18-13-5-3-12(16)4-6-13/h3-6,11,14H,2,7-10,17H2,1H3,(H,18,20).
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide?
2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 340.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 81459153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).