1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid

C13H22F2N2O4 — CID 107481854

IUPAC1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N(CCO)CC(F)F)C(C(=O)O)C1
InChIInChI=1S/C13H22F2N2O4/c1-2-9-3-4-17(10(7-9)12(19)20)13(21)16(5-6-18)8-11(14)15/h9-11,18H,2-8H2,1H3,(H,19,20)
InChIKeyMXESWOQFDICCFJ-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.24
Rot. Bonds6

About 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid

1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 107481854) has the molecular formula C13H22F2N2O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID107481854
Molecular FormulaC13H22F2N2O4
Molecular Weight308.33 g/mol
Exact Mass308.15
IUPAC Name1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N(CCO)CC(F)F)C(C(=O)O)C1
InChIInChI=1S/C13H22F2N2O4/c1-2-9-3-4-17(10(7-9)12(19)20)13(21)16(5-6-18)8-11(14)15/h9-11,18H,2-8H2,1H3,(H,19,20)
InChIKeyMXESWOQFDICCFJ-UHFFFAOYSA-N
XLogP1.24
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (CID 107481854) is 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)N(CCO)CC(F)F)C(C(=O)O)C1.
What is the InChIKey of 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is MXESWOQFDICCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O4/c1-2-9-3-4-17(10(7-9)12(19)20)13(21)16(5-6-18)8-11(14)15/h9-11,18H,2-8H2,1H3,(H,19,20).
What are the key properties of 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107481854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).