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

C14H16ClNO4 — CID 61010246

IUPAC2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H16ClNO4/c15-9-4-5-11(12(17)7-9)14(20)16-6-2-1-3-10(16)8-13(18)19/h4-5,7,10,17H,1-3,6,8H2,(H,18,19)
InChIKeyNINWOHNUYMXVEG-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.52
Rot. Bonds3

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

2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid (PubChem CID 61010246) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
PubChem CID61010246
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H16ClNO4/c15-9-4-5-11(12(17)7-9)14(20)16-6-2-1-3-10(16)8-13(18)19/h4-5,7,10,17H,1-3,6,8H2,(H,18,19)
InChIKeyNINWOHNUYMXVEG-UHFFFAOYSA-N
XLogP2.52
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 61011217
2-[1-(2,4-dichlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372414
(4-chloro-2-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030485
2-[(2S)-1-(2-hydroxy-4-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 129366358
1-(4-chloro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 64559155
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxamide
CID 54943176
[2-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80665142
2-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371047
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid (CID 61010246) is 2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid?
The InChIKey is NINWOHNUYMXVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-9-4-5-11(12(17)7-9)14(20)16-6-2-1-3-10(16)8-13(18)19/h4-5,7,10,17H,1-3,6,8H2,(H,18,19).
What are the key properties of 2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid?
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid has a molecular weight of 297.74 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).