1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid

C12H19NO5 — CID 55218655

IUPAC1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COC2CCOC2)CC1
InChIInChI=1S/C12H19NO5/c14-11(8-18-10-3-6-17-7-10)13-4-1-9(2-5-13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyIWSHOGAJVKYHRK-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.12
Rot. Bonds4

About 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid

1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 55218655) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid
PubChem CID55218655
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COC2CCOC2)CC1
InChIInChI=1S/C12H19NO5/c14-11(8-18-10-3-6-17-7-10)13-4-1-9(2-5-13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyIWSHOGAJVKYHRK-UHFFFAOYSA-N
XLogP0.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid (CID 55218655) is 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COC2CCOC2)CC1.
What is the InChIKey of 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is IWSHOGAJVKYHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-11(8-18-10-3-6-17-7-10)13-4-1-9(2-5-13)12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-yloxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 55218655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).