1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid

C13H14ClNO4 — CID 24691005

IUPAC1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C13H14ClNO4/c14-9-1-2-11(16)10(7-9)12(17)15-5-3-8(4-6-15)13(18)19/h1-2,7-8,16H,3-6H2,(H,18,19)
InChIKeyMRTCUVQQSGVUEZ-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.98
Rot. Bonds2

About 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid

1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid (PubChem CID 24691005) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
PubChem CID24691005
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C13H14ClNO4/c14-9-1-2-11(16)10(7-9)12(17)15-5-3-8(4-6-15)13(18)19/h1-2,7-8,16H,3-6H2,(H,18,19)
InChIKeyMRTCUVQQSGVUEZ-UHFFFAOYSA-N
XLogP1.98
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51275657
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
(3R)-1-(2-bromo-5-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 124677279
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220
1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 120512319
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 82702067
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
1-(4-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031979

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid (CID 24691005) is 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid?
The InChIKey is MRTCUVQQSGVUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-9-1-2-11(16)10(7-9)12(17)15-5-3-8(4-6-15)13(18)19/h1-2,7-8,16H,3-6H2,(H,18,19).
What are the key properties of 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid?
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 24691005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).