1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid

C15H19NO5 — CID 122117423

IUPAC1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cccc(C(=O)N2CC(C)CC(C(=O)O)C2)c1O
InChIInChI=1S/C15H19NO5/c1-9-6-10(15(19)20)8-16(7-9)14(18)11-4-3-5-12(21-2)13(11)17/h3-5,9-10,17H,6-8H2,1-2H3,(H,19,20)
InChIKeyHFRFRWZPWYPTNS-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.58
Rot. Bonds3

About 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid

1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117423) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122117423
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cccc(C(=O)N2CC(C)CC(C(=O)O)C2)c1O
InChIInChI=1S/C15H19NO5/c1-9-6-10(15(19)20)8-16(7-9)14(18)11-4-3-5-12(21-2)13(11)17/h3-5,9-10,17H,6-8H2,1-2H3,(H,19,20)
InChIKeyHFRFRWZPWYPTNS-UHFFFAOYSA-N
XLogP1.58
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117578
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119800
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
5-methyl-1-[2-(trifluoromethoxy)benzoyl]piperidine-3-carboxylic acid
CID 122117455
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
1-(2,3-difluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118890
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 66210628
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 62045617
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid (CID 122117423) is 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid is COc1cccc(C(=O)N2CC(C)CC(C(=O)O)C2)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is HFRFRWZPWYPTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-6-10(15(19)20)8-16(7-9)14(18)11-4-3-5-12(21-2)13(11)17/h3-5,9-10,17H,6-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid?
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).