4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid

C16H21NO7 — CID 119251705

IUPAC4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
SMILESCOc1cc(OC)c(C(=O)N2CCC(O)(C(=O)O)CC2)cc1OC
InChIInChI=1S/C16H21NO7/c1-22-11-9-13(24-3)12(23-2)8-10(11)14(18)17-6-4-16(21,5-7-17)15(19)20/h8-9,21H,4-7H2,1-3H3,(H,19,20)
InChIKeyQVETUZPRYUQXOC-UHFFFAOYSA-N
MW339.34 g/mol
LogP0.76
Rot. Bonds5

About 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid

4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid (PubChem CID 119251705) has the molecular formula C16H21NO7 and a molecular weight of 339.34 g/mol. Its IUPAC name is 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
PubChem CID119251705
Molecular FormulaC16H21NO7
Molecular Weight339.34 g/mol
Exact Mass339.13
IUPAC Name4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
SMILESCOc1cc(OC)c(C(=O)N2CCC(O)(C(=O)O)CC2)cc1OC
InChIInChI=1S/C16H21NO7/c1-22-11-9-13(24-3)12(23-2)8-10(11)14(18)17-6-4-16(21,5-7-17)15(19)20/h8-9,21H,4-7H2,1-3H3,(H,19,20)
InChIKeyQVETUZPRYUQXOC-UHFFFAOYSA-N
XLogP0.76
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119250934
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139
1-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251853
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189
[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 162638332
[(3R)-3-hydroxypyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 66291347
4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid
CID 120528292
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953
4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119251933
(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
(3aS,6aR)-2-(2,4,5-trimethoxybenzoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682438
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251616

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid (CID 119251705) is 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid is COc1cc(OC)c(C(=O)N2CCC(O)(C(=O)O)CC2)cc1OC.
What is the InChIKey of 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid?
The InChIKey is QVETUZPRYUQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO7/c1-22-11-9-13(24-3)12(23-2)8-10(11)14(18)17-6-4-16(21,5-7-17)15(19)20/h8-9,21H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid has a molecular weight of 339.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119251705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).