1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid

C17H23NO5 — CID 122119800

IUPAC1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCCOc1ccccc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H23NO5/c1-12-9-13(17(20)21)11-18(10-12)16(19)14-5-3-4-6-15(14)23-8-7-22-2/h3-6,12-13H,7-11H2,1-2H3,(H,20,21)
InChIKeyNNOZENPVJJGQGB-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.89
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119800) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119800
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCCOc1ccccc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H23NO5/c1-12-9-13(17(20)21)11-18(10-12)16(19)14-5-3-4-6-15(14)23-8-7-22-2/h3-6,12-13H,7-11H2,1-2H3,(H,20,21)
InChIKeyNNOZENPVJJGQGB-UHFFFAOYSA-N
XLogP1.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793768
5-methyl-1-[2-(trifluoromethoxy)benzoyl]piperidine-3-carboxylic acid
CID 122117455
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117423
[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 51124620
1-(2,6-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117578
1-[4-(3-methoxypropoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118061
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
1-(2-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753
5-methyl-1-(2-propan-2-ylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119825
azepan-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954316
1-(3,4-dipropoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119202
(3S,4S)-1-[2-(2-ethoxyethoxy)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953153

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid (CID 122119800) is 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid is COCCOc1ccccc1C(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is NNOZENPVJJGQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-12-9-13(17(20)21)11-18(10-12)16(19)14-5-3-4-6-15(14)23-8-7-22-2/h3-6,12-13H,7-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).