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

C14H16FN3O — CID 79771129

IUPAC5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
SMILESN#Cc1cc(F)ccc1NCC(=O)N1CCCCC1
InChIInChI=1S/C14H16FN3O/c15-12-4-5-13(11(8-12)9-16)17-10-14(19)18-6-2-1-3-7-18/h4-5,8,17H,1-3,6-7,10H2
InChIKeyXWQRFVDDHGLZQQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.12
Rot. Bonds3

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

5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile (PubChem CID 79771129) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
PubChem CID79771129
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
SMILESN#Cc1cc(F)ccc1NCC(=O)N1CCCCC1
InChIInChI=1S/C14H16FN3O/c15-12-4-5-13(11(8-12)9-16)17-10-14(19)18-6-2-1-3-7-18/h4-5,8,17H,1-3,6-7,10H2
InChIKeyXWQRFVDDHGLZQQ-UHFFFAOYSA-N
XLogP2.12
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 78894519
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346
3-fluoro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79769787
N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 78839911
5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 82016089
2-(2-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113319310
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile (CID 79771129) is 5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile is N#Cc1cc(F)ccc1NCC(=O)N1CCCCC1.
What is the InChIKey of 5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile?
The InChIKey is XWQRFVDDHGLZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-4-5-13(11(8-12)9-16)17-10-14(19)18-6-2-1-3-7-18/h4-5,8,17H,1-3,6-7,10H2.
What are the key properties of 5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile?
5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile has a molecular weight of 261.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile is sourced from PubChem (CID 79771129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).