4-acetamido-3,3-difluoropiperidine-1-carboxylic acid

C8H12F2N2O3 — CID 122457751

IUPAC4-acetamido-3,3-difluoropiperidine-1-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)O)CC1(F)F
InChIInChI=1S/C8H12F2N2O3/c1-5(13)11-6-2-3-12(7(14)15)4-8(6,9)10/h6H,2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyONNNHDWBSOKFKO-UHFFFAOYSA-N
MW222.19 g/mol
LogP0.51
Rot. Bonds1

About 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid

4-acetamido-3,3-difluoropiperidine-1-carboxylic acid (PubChem CID 122457751) has the molecular formula C8H12F2N2O3 and a molecular weight of 222.19 g/mol. Its IUPAC name is 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-3,3-difluoropiperidine-1-carboxylic acid
PubChem CID122457751
Molecular FormulaC8H12F2N2O3
Molecular Weight222.19 g/mol
Exact Mass222.08
IUPAC Name4-acetamido-3,3-difluoropiperidine-1-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)O)CC1(F)F
InChIInChI=1S/C8H12F2N2O3/c1-5(13)11-6-2-3-12(7(14)15)4-8(6,9)10/h6H,2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyONNNHDWBSOKFKO-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-(1-acetylpiperidin-4-yl)carbamate
CID 52908156
Tert-butyl 4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate
CID 21993671
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
N-[1-(2-fluoroethyl)piperidin-4-yl]acetamide
CID 130652776
2,2,2-trifluoro-N-(piperidin-4-yl)acetamide; trifluoroacetic acid
CID 14774639
N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide
CID 135063588
3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 51079646
2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide
CID 60707591
Ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 62491090
N-(1-ethylpiperidin-3-yl)-2,2,2-trifluoroacetamide
CID 62726929
2,2,3,3,3-pentafluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 108094169

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid (CID 122457751) is 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid is CC(=O)NC1CCN(C(=O)O)CC1(F)F.
What is the InChIKey of 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid?
The InChIKey is ONNNHDWBSOKFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3/c1-5(13)11-6-2-3-12(7(14)15)4-8(6,9)10/h6H,2-4H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid?
4-acetamido-3,3-difluoropiperidine-1-carboxylic acid has a molecular weight of 222.19 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3,3-difluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 122457751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).