1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid

C14H17NO5 — CID 43355913

IUPAC1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(O)c(C(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H17NO5/c1-20-10-4-5-12(16)11(7-10)13(17)15-6-2-3-9(8-15)14(18)19/h4-5,7,9,16H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyWGONVLQTYGXVOF-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.34
Rot. Bonds3

About 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid

1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 43355913) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
PubChem CID43355913
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(O)c(C(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H17NO5/c1-20-10-4-5-12(16)11(7-10)13(17)15-6-2-3-9(8-15)14(18)19/h4-5,7,9,16H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyWGONVLQTYGXVOF-UHFFFAOYSA-N
XLogP1.34
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 120514204
(3S)-1-(2,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113499
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501379
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid (CID 43355913) is 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid is COc1ccc(O)c(C(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is WGONVLQTYGXVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-20-10-4-5-12(16)11(7-10)13(17)15-6-2-3-9(8-15)14(18)19/h4-5,7,9,16H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid?
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43355913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).