1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid

C21H23NO5 — CID 122112894

IUPAC1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1cc(OCc2ccccc2)ccc1O
InChIInChI=1S/C21H23NO5/c1-14-7-8-16(21(25)26)12-22(14)20(24)18-11-17(9-10-19(18)23)27-13-15-5-3-2-4-6-15/h2-6,9-11,14,16,23H,7-8,12-13H2,1H3,(H,25,26)
InChIKeyGPFSBZCFROIHRS-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.30
Rot. Bonds5

About 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid

1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122112894) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122112894
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1cc(OCc2ccccc2)ccc1O
InChIInChI=1S/C21H23NO5/c1-14-7-8-16(21(25)26)12-22(14)20(24)18-11-17(9-10-19(18)23)27-13-15-5-3-2-4-6-15/h2-6,9-11,14,16,23H,7-8,12-13H2,1H3,(H,25,26)
InChIKeyGPFSBZCFROIHRS-UHFFFAOYSA-N
XLogP3.30
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122113029
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
[(4aR,6S,7aS)-6-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-hydroxy-5-phenylmethoxyphenyl)methanone
CID 167778718
6-methyl-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 122112816
1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083487
6-methyl-1-(4-prop-2-enoxybenzoyl)piperidine-3-carboxylic acid
CID 122083617
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113865
1-[3-(cyanomethyl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113089
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid (CID 122112894) is 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1cc(OCc2ccccc2)ccc1O.
What is the InChIKey of 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is GPFSBZCFROIHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-14-7-8-16(21(25)26)12-22(14)20(24)18-11-17(9-10-19(18)23)27-13-15-5-3-2-4-6-15/h2-6,9-11,14,16,23H,7-8,12-13H2,1H3,(H,25,26).
What are the key properties of 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid?
1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122112894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).