2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide

C19H28N2O3 — CID 78809941

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2cc(C(C)=O)ccc2OC)CC1
InChIInChI=1S/C19H28N2O3/c1-4-9-21-10-7-17(8-11-21)20-19(23)13-16-12-15(14(2)22)5-6-18(16)24-3/h5-6,12,17H,4,7-11,13H2,1-3H3,(H,20,23)
InChIKeyYQFSSYFIUIYQGJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.43
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide

2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 78809941) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID78809941
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2cc(C(C)=O)ccc2OC)CC1
InChIInChI=1S/C19H28N2O3/c1-4-9-21-10-7-17(8-11-21)20-19(23)13-16-12-15(14(2)22)5-6-18(16)24-3/h5-6,12,17H,4,7-11,13H2,1-3H3,(H,20,23)
InChIKeyYQFSSYFIUIYQGJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385762
2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 18117011
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 55570273
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
2-(6-methoxy-1-benzofuran-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809882
1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 78832230
2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147803
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718169
2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505135
3,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17250187
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide (CID 78809941) is 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)Cc2cc(C(C)=O)ccc2OC)CC1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is YQFSSYFIUIYQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-9-21-10-7-17(8-11-21)20-19(23)13-16-12-15(14(2)22)5-6-18(16)24-3/h5-6,12,17H,4,7-11,13H2,1-3H3,(H,20,23).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 78809941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).