2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide

C12H15F2N3O — CID 103514862

IUPAC2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)C(F)F
InChIInChI=1S/C12H15F2N3O/c13-11(14)12(18)16-9-4-7-17(8-5-9)10-3-1-2-6-15-10/h1-3,6,9,11H,4-5,7-8H2,(H,16,18)
InChIKeyXMLISDOKTQEVOK-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.43
Rot. Bonds3

About 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide

2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide (PubChem CID 103514862) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
PubChem CID103514862
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)C(F)F
InChIInChI=1S/C12H15F2N3O/c13-11(14)12(18)16-9-4-7-17(8-5-9)10-3-1-2-6-15-10/h1-3,6,9,11H,4-5,7-8H2,(H,16,18)
InChIKeyXMLISDOKTQEVOK-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64895091
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 97060564
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103787981
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840
2-amino-N-(1-pyridin-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64823326

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide (CID 103514862) is 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide is O=C(NC1CCN(c2ccccn2)CC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is XMLISDOKTQEVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-11(14)12(18)16-9-4-7-17(8-5-9)10-3-1-2-6-15-10/h1-3,6,9,11H,4-5,7-8H2,(H,16,18).
What are the key properties of 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 255.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 103514862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).