1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C14H15NO6 — CID 119251925

IUPAC1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H15NO6/c16-12(9-1-2-10-11(7-9)21-8-20-10)15-5-3-14(19,4-6-15)13(17)18/h1-2,7,19H,3-6,8H2,(H,17,18)
InChIKeyFBTYOYGMAIJMHG-UHFFFAOYSA-N
MW293.27 g/mol
LogP0.47
Rot. Bonds2

About 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251925) has the molecular formula C14H15NO6 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251925
Molecular FormulaC14H15NO6
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H15NO6/c16-12(9-1-2-10-11(7-9)21-8-20-10)15-5-3-14(19,4-6-15)13(17)18/h1-2,7,19H,3-6,8H2,(H,17,18)
InChIKeyFBTYOYGMAIJMHG-UHFFFAOYSA-N
XLogP0.47
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433235
1,3-benzodioxol-5-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406160
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966
5-[4-(1,3-benzodioxole-5-carbonyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690241
1,3-benzodioxol-5-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565610
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone
CID 108544309

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251925) is 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(c1ccc2c(c1)OCO2)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is FBTYOYGMAIJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c16-12(9-1-2-10-11(7-9)21-8-20-10)15-5-3-14(19,4-6-15)13(17)18/h1-2,7,19H,3-6,8H2,(H,17,18).
What are the key properties of 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).