2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid

C14H16ClNO5 — CID 63869220

IUPAC2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C14H16ClNO5/c15-9-1-2-12(17)11(7-9)14(20)16-5-3-10(4-6-16)21-8-13(18)19/h1-2,7,10,17H,3-6,8H2,(H,18,19)
InChIKeyIODGBSPDKMTCKO-UHFFFAOYSA-N
MW313.74 g/mol
LogP1.75
Rot. Bonds4

About 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid

2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63869220) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63869220
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Name2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C14H16ClNO5/c15-9-1-2-12(17)11(7-9)14(20)16-5-3-10(4-6-16)21-8-13(18)19/h1-2,7,10,17H,3-6,8H2,(H,18,19)
InChIKeyIODGBSPDKMTCKO-UHFFFAOYSA-N
XLogP1.75
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 82702067
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882
2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870387
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
2-[1-(3,6-dichloropyridazine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870220
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid (CID 63869220) is 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is IODGBSPDKMTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO5/c15-9-1-2-12(17)11(7-9)14(20)16-5-3-10(4-6-16)21-8-13(18)19/h1-2,7,10,17H,3-6,8H2,(H,18,19).
What are the key properties of 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 313.74 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63869220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).