2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide

C16H24N2O2 — CID 119464381

IUPAC2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCC1CCCNC1
InChIInChI=1S/C16H24N2O2/c1-12-5-3-6-13(2)16(12)20-11-15(19)18-10-14-7-4-8-17-9-14/h3,5-6,14,17H,4,7-11H2,1-2H3,(H,18,19)
InChIKeyGIARFFFFCKQGRK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.80
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide

2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119464381) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119464381
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCC1CCCNC1
InChIInChI=1S/C16H24N2O2/c1-12-5-3-6-13(2)16(12)20-11-15(19)18-10-14-7-4-8-17-9-14/h3,5-6,14,17H,4,7-11H2,1-2H3,(H,18,19)
InChIKeyGIARFFFFCKQGRK-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-(2,6-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514519
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462343
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119460874
N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 99626862

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide (CID 119464381) is 2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide is Cc1cccc(C)c1OCC(=O)NCC1CCCNC1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is GIARFFFFCKQGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-3-6-13(2)16(12)20-11-15(19)18-10-14-7-4-8-17-9-14/h3,5-6,14,17H,4,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
2-(2,6-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-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119464381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).