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

C14H15NO5 — CID 2813438

IUPAC1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H15NO5/c16-13(15-5-3-9(4-6-15)14(17)18)10-1-2-11-12(7-10)20-8-19-11/h1-2,7,9H,3-6,8H2,(H,17,18)
InChIKeyWISCQRDTEWKJOY-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.35
Rot. Bonds2

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

1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 2813438) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID2813438
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H15NO5/c16-13(15-5-3-9(4-6-15)14(17)18)10-1-2-11-12(7-10)20-8-19-11/h1-2,7,9H,3-6,8H2,(H,17,18)
InChIKeyWISCQRDTEWKJOY-UHFFFAOYSA-N
XLogP1.35
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid (CID 2813438) is 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is WISCQRDTEWKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c16-13(15-5-3-9(4-6-15)14(17)18)10-1-2-11-12(7-10)20-8-19-11/h1-2,7,9H,3-6,8H2,(H,17,18).
What are the key properties of 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid?
1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 2813438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).