1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid

C10H16N2O3 — CID 83023113

IUPAC1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NN2CCCCC2)CC1
InChIInChI=1S/C10H16N2O3/c13-8(10(4-5-10)9(14)15)11-12-6-2-1-3-7-12/h1-7H2,(H,11,13)(H,14,15)
InChIKeyCBZLHQORZJERBK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.37
Rot. Bonds3

About 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid

1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 83023113) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID83023113
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NN2CCCCC2)CC1
InChIInChI=1S/C10H16N2O3/c13-8(10(4-5-10)9(14)15)11-12-6-2-1-3-7-12/h1-7H2,(H,11,13)(H,14,15)
InChIKeyCBZLHQORZJERBK-UHFFFAOYSA-N
XLogP0.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 83023113) is 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)NN2CCCCC2)CC1.
What is the InChIKey of 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is CBZLHQORZJERBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-8(10(4-5-10)9(14)15)11-12-6-2-1-3-7-12/h1-7H2,(H,11,13)(H,14,15).
What are the key properties of 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83023113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).