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

C22H28N2O2 — CID 86972219

IUPACN-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCCC(COc3ccccc3)C2)c1C
InChIInChI=1S/C22H28N2O2/c1-17-8-6-12-21(18(17)2)23-22(25)15-24-13-7-9-19(14-24)16-26-20-10-4-3-5-11-20/h3-6,8,10-12,19H,7,9,13-16H2,1-2H3,(H,23,25)
InChIKeyXBYYTSKPXHFOFN-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.03
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (PubChem CID 86972219) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
PubChem CID86972219
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCCC(COc3ccccc3)C2)c1C
InChIInChI=1S/C22H28N2O2/c1-17-8-6-12-21(18(17)2)23-22(25)15-24-13-7-9-19(14-24)16-26-20-10-4-3-5-11-20/h3-6,8,10-12,19H,7,9,13-16H2,1-2H3,(H,23,25)
InChIKeyXBYYTSKPXHFOFN-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 86972171
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972373
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide
CID 92613112
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (CID 86972219) is N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCCC(COc3ccccc3)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The InChIKey is XBYYTSKPXHFOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-8-6-12-21(18(17)2)23-22(25)15-24-13-7-9-19(14-24)16-26-20-10-4-3-5-11-20/h3-6,8,10-12,19H,7,9,13-16H2,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86972219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).