1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid

C17H21NO5 — CID 119176135

IUPAC1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C17H21NO5/c1-11(19)12-6-7-15(23-2)13(9-12)10-16(20)18-8-4-3-5-14(18)17(21)22/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,21,22)
InChIKeyCEFJQGQHIXJJAG-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid

1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 119176135) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID119176135
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C17H21NO5/c1-11(19)12-6-7-15(23-2)13(9-12)10-16(20)18-8-4-3-5-14(18)17(21)22/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,21,22)
InChIKeyCEFJQGQHIXJJAG-UHFFFAOYSA-N
XLogP1.91
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidine-2-carboxylic acid
CID 119175739
(2S)-1-[2-(2-methoxy-5-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137099
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 71911930
2-[(2R)-1-[2-(5-acetyl-2-methoxyphenyl)acetyl]azepan-2-yl]-1-phenylethanone
CID 96533586
2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 42932877
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372064
(2R)-1-[3-(2,5-dimethoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372093
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993
(2S)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137100
2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119469990

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid (CID 119176135) is 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid is COc1ccc(C(C)=O)cc1CC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is CEFJQGQHIXJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-11(19)12-6-7-15(23-2)13(9-12)10-16(20)18-8-4-3-5-14(18)17(21)22/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).