1-(2,2-difluoroacetyl)piperidine-4-carboxamide

C8H12F2N2O2 — CID 103600654

IUPAC1-(2,2-difluoroacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C8H12F2N2O2/c9-6(10)8(14)12-3-1-5(2-4-12)7(11)13/h5-6H,1-4H2,(H2,11,13)
InChIKeyJSYULOSXULJAIL-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.02
Rot. Bonds2

About 1-(2,2-difluoroacetyl)piperidine-4-carboxamide

1-(2,2-difluoroacetyl)piperidine-4-carboxamide (PubChem CID 103600654) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 1-(2,2-difluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroacetyl)piperidine-4-carboxamide
PubChem CID103600654
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name1-(2,2-difluoroacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C8H12F2N2O2/c9-6(10)8(14)12-3-1-5(2-4-12)7(11)13/h5-6H,1-4H2,(H2,11,13)
InChIKeyJSYULOSXULJAIL-UHFFFAOYSA-N
XLogP-0.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Cyanoacetyl)piperidine-4-carboxamide
CID 951683
1-Acetylpiperidine-4-carboxamide
CID 18474173
1-Butanoylpiperidine-4-carboxamide
CID 17312169
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide hydrochloride
CID 42933701
1-(Trifluoroacetyl)piperidine-4-carbaldehyde
CID 45081042
2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate
CID 9115251
2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
CID 17998885
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
1-(2-Aminoacetyl)piperidine-4-carboxamide
CID 19838833
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
CID 29439803
1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 100610907
4-(4-Ethylpiperidin-1-yl)-4-oxobutanamide
CID 132319233

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroacetyl)piperidine-4-carboxamide (CID 103600654) is 1-(2,2-difluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroacetyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroacetyl)piperidine-4-carboxamide?
The InChIKey is JSYULOSXULJAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c9-6(10)8(14)12-3-1-5(2-4-12)7(11)13/h5-6H,1-4H2,(H2,11,13).
What are the key properties of 1-(2,2-difluoroacetyl)piperidine-4-carboxamide?
1-(2,2-difluoroacetyl)piperidine-4-carboxamide has a molecular weight of 206.19 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 103600654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).