N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

C15H23N2O2+ — CID 2681839

IUPACN-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-4-3-9-17(10-12)11-15(18)16-13-5-7-14(19-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)/p+1/t12-/m1/s1
InChIKeyIQHLNWQMQCDELS-GFCCVEGCSA-O
MW263.36 g/mol
LogP0.95
Rot. Bonds4

About N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 2681839) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID2681839
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-4-3-9-17(10-12)11-15(18)16-13-5-7-14(19-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)/p+1/t12-/m1/s1
InChIKeyIQHLNWQMQCDELS-GFCCVEGCSA-O
XLogP0.95
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681737
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 6972133
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7434576
2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide
CID 7184265
N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide
CID 4742378
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 7116551
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7436741
N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7409695
N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903455

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (CID 2681839) is N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is COc1ccc(NC(=O)C[NH+]2CCC[C@@H](C)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is IQHLNWQMQCDELS-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-3-9-17(10-12)11-15(18)16-13-5-7-14(19-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)/p+1/t12-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 263.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2681839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).