3-carbamoyl-5-fluoropiperidine-1-carboxylic acid

C7H11FN2O3 — CID 175609533

IUPAC3-carbamoyl-5-fluoropiperidine-1-carboxylic acid
SMILESNC(=O)C1CC(F)CN(C(=O)O)C1
InChIInChI=1S/C7H11FN2O3/c8-5-1-4(6(9)11)2-10(3-5)7(12)13/h4-5H,1-3H2,(H2,9,11)(H,12,13)
InChIKeyIYVNTBCGUBIYBS-UHFFFAOYSA-N
MW190.17 g/mol
LogP-0.19
Rot. Bonds1

About 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid

3-carbamoyl-5-fluoropiperidine-1-carboxylic acid (PubChem CID 175609533) has the molecular formula C7H11FN2O3 and a molecular weight of 190.17 g/mol. Its IUPAC name is 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-5-fluoropiperidine-1-carboxylic acid
PubChem CID175609533
Molecular FormulaC7H11FN2O3
Molecular Weight190.17 g/mol
Exact Mass190.08
IUPAC Name3-carbamoyl-5-fluoropiperidine-1-carboxylic acid
SMILESNC(=O)C1CC(F)CN(C(=O)O)C1
InChIInChI=1S/C7H11FN2O3/c8-5-1-4(6(9)11)2-10(3-5)7(12)13/h4-5H,1-3H2,(H2,9,11)(H,12,13)
InChIKeyIYVNTBCGUBIYBS-UHFFFAOYSA-N
XLogP-0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid (CID 175609533) is 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid is NC(=O)C1CC(F)CN(C(=O)O)C1.
What is the InChIKey of 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid?
The InChIKey is IYVNTBCGUBIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O3/c8-5-1-4(6(9)11)2-10(3-5)7(12)13/h4-5H,1-3H2,(H2,9,11)(H,12,13).
What are the key properties of 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid?
3-carbamoyl-5-fluoropiperidine-1-carboxylic acid has a molecular weight of 190.17 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-5-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 175609533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).