2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid

C15H19NO4 — CID 79614738

IUPAC2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
SMILESCc1cccc(C(=O)N2CCC(CC(=O)O)CC2)c1O
InChIInChI=1S/C15H19NO4/c1-10-3-2-4-12(14(10)19)15(20)16-7-5-11(6-8-16)9-13(17)18/h2-4,11,19H,5-9H2,1H3,(H,17,18)
InChIKeyPYIVJMQODUUVDG-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.03
Rot. Bonds3

About 2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid

2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid (PubChem CID 79614738) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
PubChem CID79614738
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
SMILESCc1cccc(C(=O)N2CCC(CC(=O)O)CC2)c1O
InChIInChI=1S/C15H19NO4/c1-10-3-2-4-12(14(10)19)15(20)16-7-5-11(6-8-16)9-13(17)18/h2-4,11,19H,5-9H2,1H3,(H,17,18)
InChIKeyPYIVJMQODUUVDG-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid
CID 120684687
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 82701383
(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281924
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
(2,3-dihydroxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 114344142
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 60712432
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
2-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79614868

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid (CID 79614738) is 2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid is Cc1cccc(C(=O)N2CCC(CC(=O)O)CC2)c1O.
What is the InChIKey of 2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is PYIVJMQODUUVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-3-2-4-12(14(10)19)15(20)16-7-5-11(6-8-16)9-13(17)18/h2-4,11,19H,5-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid?
2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.03, 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-3-methylbenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79614738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).