5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile

C15H18FN3O — CID 82016089

IUPAC5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
SMILESCC(Nc1ccc(F)cc1C#N)C(=O)N1CCCCC1
InChIInChI=1S/C15H18FN3O/c1-11(15(20)19-7-3-2-4-8-19)18-14-6-5-13(16)9-12(14)10-17/h5-6,9,11,18H,2-4,7-8H2,1H3
InChIKeyMMOYCFQFEKPWKD-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.51
Rot. Bonds3

About 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile

5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile (PubChem CID 82016089) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
PubChem CID82016089
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
SMILESCC(Nc1ccc(F)cc1C#N)C(=O)N1CCCCC1
InChIInChI=1S/C15H18FN3O/c1-11(15(20)19-7-3-2-4-8-19)18-14-6-5-13(16)9-12(14)10-17/h5-6,9,11,18H,2-4,7-8H2,1H3
InChIKeyMMOYCFQFEKPWKD-UHFFFAOYSA-N
XLogP2.51
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 107934118
2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
CID 79768419
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
5-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-fluorobenzonitrile
CID 62316286
5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79771129
N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 78839911
N-butan-2-yl-2-(2-cyano-4-fluoroanilino)propanamide
CID 82015893
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-chlorobenzonitrile
CID 43348090
2-(2-fluoro-4-nitroanilino)-1-piperidin-1-ylpropan-1-one
CID 115587014
2-amino-3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzonitrile
CID 104717053
1-(2-cyano-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 78894519
3-methoxy-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 104848648

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile (CID 82016089) is 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile is CC(Nc1ccc(F)cc1C#N)C(=O)N1CCCCC1.
What is the InChIKey of 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile?
The InChIKey is MMOYCFQFEKPWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11(15(20)19-7-3-2-4-8-19)18-14-6-5-13(16)9-12(14)10-17/h5-6,9,11,18H,2-4,7-8H2,1H3.
What are the key properties of 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile?
5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile has a molecular weight of 275.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile is sourced from PubChem (CID 82016089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).