1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

C14H23NO4 — CID 63125729

IUPAC1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C14H23NO4/c1-2-4-14(13(17)18)5-7-15(8-6-14)12(16)11-3-9-19-10-11/h11H,2-10H2,1H3,(H,17,18)
InChIKeyPXCIBKAUNRHSKK-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.52
Rot. Bonds4

About 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125729) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125729
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C14H23NO4/c1-2-4-14(13(17)18)5-7-15(8-6-14)12(16)11-3-9-19-10-11/h11H,2-10H2,1H3,(H,17,18)
InChIKeyPXCIBKAUNRHSKK-UHFFFAOYSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 63125729) is 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is PXCIBKAUNRHSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-4-14(13(17)18)5-7-15(8-6-14)12(16)11-3-9-19-10-11/h11H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).