2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide

C18H29N2O3+ — CID 8540592

IUPAC2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C18H28N2O3/c1-14-10-15(2)12-20(11-14)13-18(21)19-8-9-23-17-7-5-4-6-16(17)22-3/h4-7,14-15H,8-13H2,1-3H3,(H,19,21)/p+1/t14-,15-/m1/s1
InChIKeyWXRDZOZOHNOAPY-HUUCEWRRSA-O
MW321.44 g/mol
LogP0.75
Rot. Bonds7

About 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide

2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide (PubChem CID 8540592) has the molecular formula C18H29N2O3+ and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
PubChem CID8540592
Molecular FormulaC18H29N2O3+
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C18H28N2O3/c1-14-10-15(2)12-20(11-14)13-18(21)19-8-9-23-17-7-5-4-6-16(17)22-3/h4-7,14-15H,8-13H2,1-3H3,(H,19,21)/p+1/t14-,15-/m1/s1
InChIKeyWXRDZOZOHNOAPY-HUUCEWRRSA-O
XLogP0.75
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230441
N-[2-(2-methoxyphenoxy)ethyl]-2-[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
CID 9000748
methyl (3R)-2-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
CID 8693738
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
4-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8930945
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161280
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide (CID 8540592) is 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide is COc1ccccc1OCCNC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The InChIKey is WXRDZOZOHNOAPY-HUUCEWRRSA-O. The full InChI is InChI=1S/C18H28N2O3/c1-14-10-15(2)12-20(11-14)13-18(21)19-8-9-23-17-7-5-4-6-16(17)22-3/h4-7,14-15H,8-13H2,1-3H3,(H,19,21)/p+1/t14-,15-/m1/s1.
What are the key properties of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide has a molecular weight of 321.44 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 8540592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).