N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

C16H25N2O2+ — CID 8543828

IUPACN-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)C[NH+]1CCC(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-6-8-18(9-7-12)11-16(19)17-14-10-13(2)4-5-15(14)20-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)/p+1
InChIKeyMTLXEUKNEQOJSV-UHFFFAOYSA-O
MW277.39 g/mol
LogP1.26
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 8543828) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID8543828
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)C[NH+]1CCC(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-6-8-18(9-7-12)11-16(19)17-14-10-13(2)4-5-15(14)20-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)/p+1
InChIKeyMTLXEUKNEQOJSV-UHFFFAOYSA-O
XLogP1.26
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932092
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 6945137
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 8704671
ethyl 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931419
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
methyl 4-methyl-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoate
CID 8543283
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557
N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 7460120
N-(2-methoxy-5-methylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 9288400
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60775079
N-(2-fluoro-4-methylphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8997285

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 8543828) is N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is COc1ccc(C)cc1NC(=O)C[NH+]1CCC(C)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is MTLXEUKNEQOJSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-8-18(9-7-12)11-16(19)17-14-10-13(2)4-5-15(14)20-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)/p+1.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 277.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8543828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).