2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile

C15H17F2N3O — CID 107934118

IUPAC2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
SMILESCC(Nc1ccc(C#N)c(F)c1F)C(=O)N1CCCCC1
InChIInChI=1S/C15H17F2N3O/c1-10(15(21)20-7-3-2-4-8-20)19-12-6-5-11(9-18)13(16)14(12)17/h5-6,10,19H,2-4,7-8H2,1H3
InChIKeyVHKPWLRPTJZKLW-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.65
Rot. Bonds3

About 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile

2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile (PubChem CID 107934118) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
PubChem CID107934118
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
SMILESCC(Nc1ccc(C#N)c(F)c1F)C(=O)N1CCCCC1
InChIInChI=1S/C15H17F2N3O/c1-10(15(21)20-7-3-2-4-8-20)19-12-6-5-11(9-18)13(16)14(12)17/h5-6,10,19H,2-4,7-8H2,1H3
InChIKeyVHKPWLRPTJZKLW-UHFFFAOYSA-N
XLogP2.65
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 82016089
5-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-fluorobenzonitrile
CID 62316286
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-chlorobenzonitrile
CID 43348090
2-fluoro-3-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 107114790
2-amino-3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzonitrile
CID 104717053
2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
CID 79768419
2-(2-fluoro-4-nitroanilino)-1-piperidin-1-ylpropan-1-one
CID 115587014
3-methoxy-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 104848648
1-(azepan-1-yl)-2-(5-bromo-2-fluoroanilino)propan-1-one
CID 43555646
3-methoxy-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 107467458
3-(4-cyano-2,3-difluoroanilino)butanamide
CID 107934186

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile?
The IUPAC name of 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile (CID 107934118) is 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile?
The canonical SMILES for 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile is CC(Nc1ccc(C#N)c(F)c1F)C(=O)N1CCCCC1.
What is the InChIKey of 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile?
The InChIKey is VHKPWLRPTJZKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10(15(21)20-7-3-2-4-8-20)19-12-6-5-11(9-18)13(16)14(12)17/h5-6,10,19H,2-4,7-8H2,1H3.
What are the key properties of 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile?
2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile has a molecular weight of 293.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile is sourced from PubChem (CID 107934118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).