2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide

C16H24N2O2 — CID 119462971

IUPAC2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCC2CCCNC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-15(13(2)8-12)20-11-16(19)18-10-14-4-3-7-17-9-14/h5-6,8,14,17H,3-4,7,9-11H2,1-2H3,(H,18,19)
InChIKeyQOGGFXSXSSPUIB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.80
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide

2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119462971) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119462971
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCC2CCCNC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-15(13(2)8-12)20-11-16(19)18-10-14-4-3-7-17-9-14/h5-6,8,14,17H,3-4,7,9-11H2,1-2H3,(H,18,19)
InChIKeyQOGGFXSXSSPUIB-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557950
2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119464381
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462343
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108539833
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
trans-(1S,2R)-2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755772
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide (CID 119462971) is 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide is Cc1ccc(OCC(=O)NCC2CCCNC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is QOGGFXSXSSPUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-6-15(13(2)8-12)20-11-16(19)18-10-14-4-3-7-17-9-14/h5-6,8,14,17H,3-4,7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119462971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).