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

C16H25N2O2+ — CID 8544027

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-7-9-18(10-8-13)12-16(19)17-11-14-3-5-15(20-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,17,19)/p+1
InChIKeyXFKJLTFRSABJJA-UHFFFAOYSA-O
MW277.39 g/mol
LogP0.63
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 8544027) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID8544027
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-7-9-18(10-8-13)12-16(19)17-11-14-3-5-15(20-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,17,19)/p+1
InChIKeyXFKJLTFRSABJJA-UHFFFAOYSA-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-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide
CID 7435772
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 5064395
N-[(4-methoxyphenyl)methyl]-2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]acetamide
CID 111210945
N-[(4-methoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759536
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
methyl 4-[[[2-(azepan-1-ium-1-yl)acetyl]amino]methyl]benzoate
CID 8896036
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9390929
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8558356

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 8544027) is N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide is COc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is XFKJLTFRSABJJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-13-7-9-18(10-8-13)12-16(19)17-11-14-3-5-15(20-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,17,19)/p+1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(4-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-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8544027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).