N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide

C18H29N2O3+ — CID 8558356

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-13-7-9-20(10-8-13)12-18(21)19-14(2)16-11-15(22-3)5-6-17(16)23-4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,19,21)/p+1/t14-/m1/s1
InChIKeyWXIXVORICUEWRT-CQSZACIVSA-O
MW321.44 g/mol
LogP1.20
Rot. Bonds6

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 8558356) has the molecular formula C18H29N2O3+ and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID8558356
Molecular FormulaC18H29N2O3+
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-13-7-9-20(10-8-13)12-18(21)19-14(2)16-11-15(22-3)5-6-17(16)23-4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,19,21)/p+1/t14-/m1/s1
InChIKeyWXIXVORICUEWRT-CQSZACIVSA-O
XLogP1.20
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butanamide
CID 94463951
4-cyclohexyl-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 85020035
2-cyclohexylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 60608736
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912543
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 8558356) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide is COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is WXIXVORICUEWRT-CQSZACIVSA-O. The full InChI is InChI=1S/C18H28N2O3/c1-13-7-9-20(10-8-13)12-18(21)19-14(2)16-11-15(22-3)5-6-17(16)23-4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,19,21)/p+1/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 321.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8558356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).