2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide

C15H19FN4O — CID 107118948

IUPAC2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
SMILESN#Cc1cccc(CN(CC(N)=O)C2CCNCC2)c1F
InChIInChI=1S/C15H19FN4O/c16-15-11(8-17)2-1-3-12(15)9-20(10-14(18)21)13-4-6-19-7-5-13/h1-3,13,19H,4-7,9-10H2,(H2,18,21)
InChIKeyFMXQFXCWEGRSRT-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.74
Rot. Bonds5

About 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide

2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide (PubChem CID 107118948) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
PubChem CID107118948
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
SMILESN#Cc1cccc(CN(CC(N)=O)C2CCNCC2)c1F
InChIInChI=1S/C15H19FN4O/c16-15-11(8-17)2-1-3-12(15)9-20(10-14(18)21)13-4-6-19-7-5-13/h1-3,13,19H,4-7,9-10H2,(H2,18,21)
InChIKeyFMXQFXCWEGRSRT-UHFFFAOYSA-N
XLogP0.74
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107119079
2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
CID 107347341
2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 60801937
2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide
CID 70202184
3-[[cyclopentyl(3-methylbutyl)amino]methyl]-2-fluorobenzonitrile
CID 107114969
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 103912099
2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 103038748
3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
CID 103912018
2-[(3-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 107118765
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide (CID 107118948) is 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide is N#Cc1cccc(CN(CC(N)=O)C2CCNCC2)c1F.
What is the InChIKey of 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
The InChIKey is FMXQFXCWEGRSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-15-11(8-17)2-1-3-12(15)9-20(10-14(18)21)13-4-6-19-7-5-13/h1-3,13,19H,4-7,9-10H2,(H2,18,21).
What are the key properties of 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide has a molecular weight of 290.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 107118948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).