4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid

C17H21NO6 — CID 120528292

IUPAC4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid
SMILESC=CCOc1cc(OC)ccc1C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H21NO6/c1-3-10-24-14-11-12(23-2)4-5-13(14)15(19)18-8-6-17(22,7-9-18)16(20)21/h3-5,11,22H,1,6-10H2,2H3,(H,20,21)
InChIKeyLLZZPUUVVMKYQI-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.31
Rot. Bonds6

About 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid

4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid (PubChem CID 120528292) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid
PubChem CID120528292
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid
SMILESC=CCOc1cc(OC)ccc1C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H21NO6/c1-3-10-24-14-11-12(23-2)4-5-13(14)15(19)18-8-6-17(22,7-9-18)16(20)21/h3-5,11,22H,1,6-10H2,2H3,(H,20,21)
InChIKeyLLZZPUUVVMKYQI-UHFFFAOYSA-N
XLogP1.31
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
CID 119251705
1-(2,4-dimethoxybenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259319
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
CID 118773491
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 120806079
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid
CID 120515258
(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119250934
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 115413219

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid (CID 120528292) is 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid is C=CCOc1cc(OC)ccc1C(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid?
The InChIKey is LLZZPUUVVMKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-3-10-24-14-11-12(23-2)4-5-13(14)15(19)18-8-6-17(22,7-9-18)16(20)21/h3-5,11,22H,1,6-10H2,2H3,(H,20,21).
What are the key properties of 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 120528292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).