2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one

C15H21F2N3O — CID 95717027

IUPAC2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2N3O/c1-15(2,18)14(21)20-7-3-4-11(9-20)19-10-5-6-12(16)13(17)8-10/h5-6,8,11,19H,3-4,7,9,18H2,1-2H3/t11-/m1/s1
InChIKeyLXIPLDOBYFEGDI-LLVKDONJSA-N
MW297.35 g/mol
LogP2.11
Rot. Bonds3

About 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one

2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 95717027) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID95717027
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2N3O/c1-15(2,18)14(21)20-7-3-4-11(9-20)19-10-5-6-12(16)13(17)8-10/h5-6,8,11,19H,3-4,7,9,18H2,1-2H3/t11-/m1/s1
InChIKeyLXIPLDOBYFEGDI-LLVKDONJSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 24791780
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 95728291
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 95728105
[3-(3,4-difluoroanilino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 24791396
1,3-benzodioxol-5-yl-[3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 45178750
1-[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 25278796
1-[3-(3,4-difluoroanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 24819244

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one (CID 95717027) is 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is LXIPLDOBYFEGDI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-15(2,18)14(21)20-7-3-4-11(9-20)19-10-5-6-12(16)13(17)8-10/h5-6,8,11,19H,3-4,7,9,18H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one?
2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 297.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 95717027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).