1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid

C16H21NO5 — CID 54793768

IUPAC1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESCOCCOc1ccccc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO5/c1-21-10-11-22-14-5-3-2-4-13(14)15(18)17-8-6-12(7-9-17)16(19)20/h2-5,12H,6-11H2,1H3,(H,19,20)
InChIKeyPOGIZANLJWEGAP-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.65
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid

1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid (PubChem CID 54793768) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
PubChem CID54793768
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESCOCCOc1ccccc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO5/c1-21-10-11-22-14-5-3-2-4-13(14)15(18)17-8-6-12(7-9-17)16(19)20/h2-5,12H,6-11H2,1H3,(H,19,20)
InChIKeyPOGIZANLJWEGAP-UHFFFAOYSA-N
XLogP1.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.65
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-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753
1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119800
[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 51124620
1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide
CID 31302453
1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793764
azepan-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954316
[2-(2-methoxyethoxy)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994646
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250641
[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
CID 4947734
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid (CID 54793768) is 1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid is COCCOc1ccccc1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is POGIZANLJWEGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-21-10-11-22-14-5-3-2-4-13(14)15(18)17-8-6-12(7-9-17)16(19)20/h2-5,12H,6-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid?
1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.65, 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]piperidine-4-carboxylic acid is sourced from PubChem (CID 54793768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).