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

C17H27N2O2+ — CID 8623412

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C[NH+]1CCCC[C@H]1C
InChIInChI=1S/C17H26N2O2/c1-14-7-5-6-12-19(14)13-17(20)18-11-10-15-8-3-4-9-16(15)21-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,18,20)/p+1/t14-/m1/s1
InChIKeyCKVFDOYQONPCBF-CQSZACIVSA-O
MW291.41 g/mol
LogP0.81
Rot. Bonds6

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

N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8623412) has the molecular formula C17H27N2O2+ and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID8623412
Molecular FormulaC17H27N2O2+
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C[NH+]1CCCC[C@H]1C
InChIInChI=1S/C17H26N2O2/c1-14-7-5-6-12-19(14)13-17(20)18-11-10-15-8-3-4-9-16(15)21-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,18,20)/p+1/t14-/m1/s1
InChIKeyCKVFDOYQONPCBF-CQSZACIVSA-O
XLogP0.81
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
1-(2-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone
CID 2422706
2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 133110814
2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 50964588
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8857198
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8549823
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-[1-(aminomethyl)cyclobutyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 106260828

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 8623412) is N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is COc1ccccc1CCNC(=O)C[NH+]1CCCC[C@H]1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is CKVFDOYQONPCBF-CQSZACIVSA-O. The full InChI is InChI=1S/C17H26N2O2/c1-14-7-5-6-12-19(14)13-17(20)18-11-10-15-8-3-4-9-16(15)21-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,18,20)/p+1/t14-/m1/s1.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 291.41 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8623412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).