2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid

C15H19NO4 — CID 61011217

IUPAC2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCCCC2CC(=O)O)c(O)c1
InChIInChI=1S/C15H19NO4/c1-10-5-6-12(13(17)8-10)15(20)16-7-3-2-4-11(16)9-14(18)19/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyPXWJIEBZMHNVEU-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.17
Rot. Bonds3

About 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid

2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid (PubChem CID 61011217) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
PubChem CID61011217
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCCCC2CC(=O)O)c(O)c1
InChIInChI=1S/C15H19NO4/c1-10-5-6-12(13(17)8-10)15(20)16-7-3-2-4-11(16)9-14(18)19/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyPXWJIEBZMHNVEU-UHFFFAOYSA-N
XLogP2.17
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-(2-hydroxy-4-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 129366358
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
CID 61010246
[2-(bromomethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 80678439
2-[1-(2-bromo-5-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 81109714
1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 106861332
[2-(2-bromoethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 80665148
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
2-[1-(5-methyl-2-nitrobenzoyl)pyrrolidin-2-yl]acetic acid
CID 65460813
[2-(bromomethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 80659376
2-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370883
1-[1-(4-fluoro-2-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107014985
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid (CID 61011217) is 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid is Cc1ccc(C(=O)N2CCCCC2CC(=O)O)c(O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid?
The InChIKey is PXWJIEBZMHNVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-5-6-12(13(17)8-10)15(20)16-7-3-2-4-11(16)9-14(18)19/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid?
2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61011217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).