N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

C21H26N2O2 — CID 86972186

IUPACN-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCCC(COc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O2/c1-17-7-5-9-19(13-17)22-21(24)15-23-12-6-8-18(14-23)16-25-20-10-3-2-4-11-20/h2-5,7,9-11,13,18H,6,8,12,14-16H2,1H3,(H,22,24)
InChIKeyZGIABLIQSYXQEK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.72
Rot. Bonds6

About N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (PubChem CID 86972186) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
PubChem CID86972186
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCCC(COc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O2/c1-17-7-5-9-19(13-17)22-21(24)15-23-12-6-8-18(14-23)16-25-20-10-3-2-4-11-20/h2-5,7,9-11,13,18H,6,8,12,14-16H2,1H3,(H,22,24)
InChIKeyZGIABLIQSYXQEK-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581
2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 86972171
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119915580
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (CID 86972186) is N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCCC(COc3ccccc3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The InChIKey is ZGIABLIQSYXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-7-5-9-19(13-17)22-21(24)15-23-12-6-8-18(14-23)16-25-20-10-3-2-4-11-20/h2-5,7,9-11,13,18H,6,8,12,14-16H2,1H3,(H,22,24).
What are the key properties of N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86972186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).