2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide

C16H24BrN2O2+ — CID 9264469

IUPAC2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide
SMILESCCC[NH+]1CCC(NC(=O)COc2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrN2O2/c1-2-8-19-9-6-14(7-10-19)18-16(20)12-21-15-5-3-4-13(17)11-15/h3-5,11,14H,2,6-10,12H2,1H3,(H,18,20)/p+1
InChIKeyRCWIWJLGMOURTC-UHFFFAOYSA-O
MW356.28 g/mol
LogP1.40
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide

2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide (PubChem CID 9264469) has the molecular formula C16H24BrN2O2+ and a molecular weight of 356.28 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide
PubChem CID9264469
Molecular FormulaC16H24BrN2O2+
Molecular Weight356.28 g/mol
Exact Mass355.10
IUPAC Name2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide
SMILESCCC[NH+]1CCC(NC(=O)COc2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrN2O2/c1-2-8-19-9-6-14(7-10-19)18-16(20)12-21-15-5-3-4-13(17)11-15/h3-5,11,14H,2,6-10,12H2,1H3,(H,18,20)/p+1
InChIKeyRCWIWJLGMOURTC-UHFFFAOYSA-O
XLogP1.40
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
(E)-3-(3-bromophenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide
CID 9264849
2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86918559
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9091140
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide (CID 9264469) is 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide is CCC[NH+]1CCC(NC(=O)COc2cccc(Br)c2)CC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide?
The InChIKey is RCWIWJLGMOURTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23BrN2O2/c1-2-8-19-9-6-14(7-10-19)18-16(20)12-21-15-5-3-4-13(17)11-15/h3-5,11,14H,2,6-10,12H2,1H3,(H,18,20)/p+1.
What are the key properties of 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide?
2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide has a molecular weight of 356.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 9264469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).