3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid

C12H21NO4 — CID 55056174

IUPAC3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCOC1CCN(CC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C12H21NO4/c1-16-10-2-5-13(6-3-10)8-12(11(14)15)4-7-17-9-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyNVBQKDVWKGTPON-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.59
Rot. Bonds4

About 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid

3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 55056174) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID55056174
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCOC1CCN(CC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C12H21NO4/c1-16-10-2-5-13(6-3-10)8-12(11(14)15)4-7-17-9-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyNVBQKDVWKGTPON-UHFFFAOYSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid (CID 55056174) is 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid is COC1CCN(CC2(C(=O)O)CCOC2)CC1.
What is the InChIKey of 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is NVBQKDVWKGTPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-16-10-2-5-13(6-3-10)8-12(11(14)15)4-7-17-9-12/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 55056174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).