1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C13H22N2O4 — CID 43534002

IUPAC1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)CC1)C1CCCO1
InChIInChI=1S/C13H22N2O4/c1-9(11-3-2-8-19-11)14-13(18)15-6-4-10(5-7-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyMXLKHNPFMGKYAF-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds3

About 1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 43534002) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID43534002
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)CC1)C1CCCO1
InChIInChI=1S/C13H22N2O4/c1-9(11-3-2-8-19-11)14-13(18)15-6-4-10(5-7-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyMXLKHNPFMGKYAF-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-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 43534002) is 1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is CC(NC(=O)N1CCC(C(=O)O)CC1)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is MXLKHNPFMGKYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(11-3-2-8-19-11)14-13(18)15-6-4-10(5-7-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[1-(oxolan-2-yl)ethylcarbamoyl]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-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43534002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).