2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide

C15H19F2N3O2 — CID 75394497

IUPAC2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide
SMILESO=C(CCNC(=O)C(F)(F)c1ccccn1)N1CCCCC1
InChIInChI=1S/C15H19F2N3O2/c16-15(17,12-6-2-3-8-18-12)14(22)19-9-7-13(21)20-10-4-1-5-11-20/h2-3,6,8H,1,4-5,7,9-11H2,(H,19,22)
InChIKeyBDPDXOGNKLKCGX-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.69
Rot. Bonds5

About 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide

2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide (PubChem CID 75394497) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide
PubChem CID75394497
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide
SMILESO=C(CCNC(=O)C(F)(F)c1ccccn1)N1CCCCC1
InChIInChI=1S/C15H19F2N3O2/c16-15(17,12-6-2-3-8-18-12)14(22)19-9-7-13(21)20-10-4-1-5-11-20/h2-3,6,8H,1,4-5,7,9-11H2,(H,19,22)
InChIKeyBDPDXOGNKLKCGX-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 124844949
1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 47016115
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
1-(azepan-1-yl)-3-pyridin-2-ylsulfanylpropan-1-one
CID 3284463
3-[(2,2-difluoro-2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 116789287
N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 75395596
2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide
CID 23252437
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide?
The IUPAC name of 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide (CID 75394497) is 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide?
The canonical SMILES for 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide is O=C(CCNC(=O)C(F)(F)c1ccccn1)N1CCCCC1.
What is the InChIKey of 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide?
The InChIKey is BDPDXOGNKLKCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-15(17,12-6-2-3-8-18-12)14(22)19-9-7-13(21)20-10-4-1-5-11-20/h2-3,6,8H,1,4-5,7,9-11H2,(H,19,22).
What are the key properties of 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide?
2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide has a molecular weight of 311.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 75394497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).