1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid

C11H19FN2O3 — CID 122015473

IUPAC1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(F)CCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19FN2O3/c1-8(12)4-5-13-11(17)14-6-2-3-9(7-14)10(15)16/h8-9H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyLYQXVBAJYPWASD-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.24
Rot. Bonds4

About 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid

1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122015473) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122015473
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC Name1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(F)CCNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19FN2O3/c1-8(12)4-5-13-11(17)14-6-2-3-9(7-14)10(15)16/h8-9H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyLYQXVBAJYPWASD-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid (CID 122015473) is 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid is CC(F)CCNC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is LYQXVBAJYPWASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3/c1-8(12)4-5-13-11(17)14-6-2-3-9(7-14)10(15)16/h8-9H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid?
1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 246.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobutylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122015473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).