1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid

C12H20N2O4 — CID 43610485

IUPAC1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-1-5-14(6-2-9)12(17)13-10-3-7-18-8-4-10/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyXUYGKKJPATWOSB-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds2

About 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid

1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 43610485) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID43610485
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-1-5-14(6-2-9)12(17)13-10-3-7-18-8-4-10/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyXUYGKKJPATWOSB-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid (CID 43610485) is 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NC2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is XUYGKKJPATWOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(16)9-1-5-14(6-2-9)12(17)13-10-3-7-18-8-4-10/h9-10H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid?
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43610485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).