2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide

C16H22N2O3 — CID 119463561

IUPAC2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCC2CCCNC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)14-5-2-6-15(8-14)21-11-16(20)18-10-13-4-3-7-17-9-13/h2,5-6,8,13,17H,3-4,7,9-11H2,1H3,(H,18,20)
InChIKeyLXAIMONYBVUIOW-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.38
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide

2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119463561) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119463561
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCC2CCCNC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)14-5-2-6-15(8-14)21-11-16(20)18-10-13-4-3-7-17-9-13/h2,5-6,8,13,17H,3-4,7,9-11H2,1H3,(H,18,20)
InChIKeyLXAIMONYBVUIOW-UHFFFAOYSA-N
XLogP1.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119464381
2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462343
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119462625
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 99626862
2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557900

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide (CID 119463561) is 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide is CC(=O)c1cccc(OCC(=O)NCC2CCCNC2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is LXAIMONYBVUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(19)14-5-2-6-15(8-14)21-11-16(20)18-10-13-4-3-7-17-9-13/h2,5-6,8,13,17H,3-4,7,9-11H2,1H3,(H,18,20).
What are the key properties of 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119463561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).