cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone

C15H18F2N2O — CID 25455171

IUPACcyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H18F2N2O/c16-13-6-5-11(8-14(13)17)18-12-2-1-7-19(9-12)15(20)10-3-4-10/h5-6,8,10,12,18H,1-4,7,9H2/t12-/m1/s1
InChIKeyZJGHZNMBOPSOKE-GFCCVEGCSA-N
MW280.32 g/mol
LogP2.78
Rot. Bonds3

About cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone

cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone (PubChem CID 25455171) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
PubChem CID25455171
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namecyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H18F2N2O/c16-13-6-5-11(8-14(13)17)18-12-2-1-7-19(9-12)15(20)10-3-4-10/h5-6,8,10,12,18H,1-4,7,9H2/t12-/m1/s1
InChIKeyZJGHZNMBOPSOKE-GFCCVEGCSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
CID 95717027
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 24791780
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 42119873
1-[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 25377137
1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 25377133
1,3-benzodioxol-5-yl-[3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 45178750
1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 25455462
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 95728291
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone (CID 25455171) is cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone?
The InChIKey is ZJGHZNMBOPSOKE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-13-6-5-11(8-14(13)17)18-12-2-1-7-19(9-12)15(20)10-3-4-10/h5-6,8,10,12,18H,1-4,7,9H2/t12-/m1/s1.
What are the key properties of cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone?
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone has a molecular weight of 280.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 25455171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).