2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide

C22H29N3O2 — CID 55746761

IUPAC2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1C
InChIInChI=1S/C22H29N3O2/c1-16-8-10-25(11-9-16)21-7-5-19(13-23-21)14-24-22(26)15-27-20-6-4-17(2)18(3)12-20/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,24,26)
InChIKeyVDCDCVTXRODWTF-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.63
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide

2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 55746761) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID55746761
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1C
InChIInChI=1S/C22H29N3O2/c1-16-8-10-25(11-9-16)21-7-5-19(13-23-21)14-24-22(26)15-27-20-6-4-17(2)18(3)12-20/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,24,26)
InChIKeyVDCDCVTXRODWTF-UHFFFAOYSA-N
XLogP3.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745410
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
2-[(1R)-cyclopent-2-en-1-yl]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94783206
2-cyclopent-2-en-1-yl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47043291
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 55820732
2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 87045751
5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 112829886
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111846631
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide (CID 55746761) is 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide is Cc1ccc(OCC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is VDCDCVTXRODWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-8-10-25(11-9-16)21-7-5-19(13-23-21)14-24-22(26)15-27-20-6-4-17(2)18(3)12-20/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,24,26).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55746761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).