1-(oxane-4-carbonyl)piperidine-3-carboxylic acid

C12H19NO4 — CID 43209815

IUPAC1-(oxane-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C12H19NO4/c14-11(9-3-6-17-7-4-9)13-5-1-2-10(8-13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyNBFCJDXPMBYUMF-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds2

About 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid

1-(oxane-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43209815) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxane-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID43209815
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-(oxane-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C12H19NO4/c14-11(9-3-6-17-7-4-9)13-5-1-2-10(8-13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyNBFCJDXPMBYUMF-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid (CID 43209815) is 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is NBFCJDXPMBYUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(9-3-6-17-7-4-9)13-5-1-2-10(8-13)12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid?
1-(oxane-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxane-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43209815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).