1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid

C11H18F2N2O3 — CID 113303894

IUPAC1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(F)F)CC1
InChIInChI=1S/C11H18F2N2O3/c1-2-11(9(16)17)3-5-15(6-4-11)10(18)14-7-8(12)13/h8H,2-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyKPIHJIBUSVABNN-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.54
Rot. Bonds4

About 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid

1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 113303894) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID113303894
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(F)F)CC1
InChIInChI=1S/C11H18F2N2O3/c1-2-11(9(16)17)3-5-15(6-4-11)10(18)14-7-8(12)13/h8H,2-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyKPIHJIBUSVABNN-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid (CID 113303894) is 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is KPIHJIBUSVABNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-2-11(9(16)17)3-5-15(6-4-11)10(18)14-7-8(12)13/h8H,2-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid?
1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 264.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 113303894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).