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

C14H17NO5 — CID 24689574

IUPAC1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
SMILESCOc1cccc(C(=O)N2CCCCC2C(=O)O)c1O
InChIInChI=1S/C14H17NO5/c1-20-11-7-4-5-9(12(11)16)13(17)15-8-3-2-6-10(15)14(18)19/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyBLRCSYVYXNNQOY-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.48
Rot. Bonds3

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

1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid (PubChem CID 24689574) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
PubChem CID24689574
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
SMILESCOc1cccc(C(=O)N2CCCCC2C(=O)O)c1O
InChIInChI=1S/C14H17NO5/c1-20-11-7-4-5-9(12(11)16)13(17)15-8-3-2-6-10(15)14(18)19/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyBLRCSYVYXNNQOY-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxy-3-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 60968549
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
CID 102555243
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 42940489
[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63395526
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
1-(2-fluoro-6-methoxybenzoyl)azepane-2-carboxylic acid
CID 65433605
4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24695969
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
[2-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63754345

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid (CID 24689574) is 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid is COc1cccc(C(=O)N2CCCCC2C(=O)O)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid?
The InChIKey is BLRCSYVYXNNQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-20-11-7-4-5-9(12(11)16)13(17)15-8-3-2-6-10(15)14(18)19/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid?
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 24689574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).