4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid

C19H20N2O5 — CID 56894278

IUPAC4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)O)CC2)ccn1
InChIInChI=1S/C19H20N2O5/c1-13-10-14(4-7-20-13)21-8-5-19(6-9-21,18(22)23)26-15-2-3-16-17(11-15)25-12-24-16/h2-4,7,10-11H,5-6,8-9,12H2,1H3,(H,22,23)
InChIKeyDIHHGXNEBZZRFU-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.62
Rot. Bonds4

About 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid

4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 56894278) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid
PubChem CID56894278
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)O)CC2)ccn1
InChIInChI=1S/C19H20N2O5/c1-13-10-14(4-7-20-13)21-8-5-19(6-9-21,18(22)23)26-15-2-3-16-17(11-15)25-12-24-16/h2-4,7,10-11H,5-6,8-9,12H2,1H3,(H,22,23)
InChIKeyDIHHGXNEBZZRFU-UHFFFAOYSA-N
XLogP2.62
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid (CID 56894278) is 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid is Cc1cc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)O)CC2)ccn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is DIHHGXNEBZZRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13-10-14(4-7-20-13)21-8-5-19(6-9-21,18(22)23)26-15-2-3-16-17(11-15)25-12-24-16/h2-4,7,10-11H,5-6,8-9,12H2,1H3,(H,22,23).
What are the key properties of 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid?
4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56894278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).