1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

C13H22N2O4 — CID 55013833

IUPAC1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC2CCCCO2)CC1
InChIInChI=1S/C13H22N2O4/c16-12(17)10-4-6-15(7-5-10)13(18)14-9-11-3-1-2-8-19-11/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyWCZFKNFQHOAYFX-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds3

About 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 55013833) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID55013833
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC2CCCCO2)CC1
InChIInChI=1S/C13H22N2O4/c16-12(17)10-4-6-15(7-5-10)13(18)14-9-11-3-1-2-8-19-11/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyWCZFKNFQHOAYFX-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (CID 55013833) is 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCC2CCCCO2)CC1.
What is the InChIKey of 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is WCZFKNFQHOAYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-12(17)10-4-6-15(7-5-10)13(18)14-9-11-3-1-2-8-19-11/h10-11H,1-9H2,(H,14,18)(H,16,17).
What are the key properties of 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55013833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).