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

C16H21NO5 — CID 54793764

IUPAC1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESCOCCOc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO5/c1-21-10-11-22-14-4-2-12(3-5-14)15(18)17-8-6-13(7-9-17)16(19)20/h2-5,13H,6-11H2,1H3,(H,19,20)
InChIKeyYOTLKNSIBLBJOE-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.65
Rot. Bonds6

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

1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid (PubChem CID 54793764) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
PubChem CID54793764
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESCOCCOc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO5/c1-21-10-11-22-14-4-2-12(3-5-14)15(18)17-8-6-13(7-9-17)16(19)20/h2-5,13H,6-11H2,1H3,(H,19,20)
InChIKeyYOTLKNSIBLBJOE-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-(4-prop-2-ynoxybenzoyl)piperidine-4-carboxylic acid
CID 119166204
[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164916
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
1-[4-(3-methoxypropoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118061
1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349671
1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
CID 54794066
(3S)-1-[4-[2-(diethylamino)ethoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610415
1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793768
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979
[4-(2-methoxyethoxy)phenyl]-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124891782
2-[1-[4-(2-methoxyethoxy)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592646
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid (CID 54793764) is 1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid is COCCOc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is YOTLKNSIBLBJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-21-10-11-22-14-4-2-12(3-5-14)15(18)17-8-6-13(7-9-17)16(19)20/h2-5,13H,6-11H2,1H3,(H,19,20).
What are the key properties of 1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid?
1-[4-(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-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 54793764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).