2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide

C17H24N2O3 — CID 91149656

IUPAC2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(20)14-4-6-16(7-5-14)22-13(2)17(21)18-15-8-10-19(3)11-9-15/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)
InChIKeyXXAQEJMCXFZXOQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.87
Rot. Bonds5

About 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide

2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 91149656) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID91149656
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(20)14-4-6-16(7-5-14)22-13(2)17(21)18-15-8-10-19(3)11-9-15/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)
InChIKeyXXAQEJMCXFZXOQ-UHFFFAOYSA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712606
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
CID 95397525
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236761
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712610
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide (CID 91149656) is 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide is CC(=O)c1ccc(OC(C)C(=O)NC2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is XXAQEJMCXFZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(20)14-4-6-16(7-5-14)22-13(2)17(21)18-15-8-10-19(3)11-9-15/h4-7,13,15H,8-11H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91149656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).