N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

C16H25N2O2+ — CID 8903455

IUPACN-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)C[NH+]1CCC[C@@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-13-6-5-9-18(11-13)12-16(19)17-10-14-7-3-4-8-15(14)20-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyGHPKCROLRBCUIE-CYBMUJFWSA-O
MW277.39 g/mol
LogP0.63
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8903455) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID8903455
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)C[NH+]1CCC[C@@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-13-6-5-9-18(11-13)12-16(19)17-10-14-7-3-4-8-15(14)20-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyGHPKCROLRBCUIE-CYBMUJFWSA-O
XLogP0.63
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide
CID 8972819
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 62654429
(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8545953
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019538
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (CID 8903455) is N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is COc1ccccc1CNC(=O)C[NH+]1CCC[C@@H](C)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is GHPKCROLRBCUIE-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-5-9-18(11-13)12-16(19)17-10-14-7-3-4-8-15(14)20-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 277.39 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8903455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).