2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide

C13H14F2N4O — CID 79085859

IUPAC2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide
SMILESN#CC1CNCCN1CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H14F2N4O/c14-10-2-1-3-11(15)13(10)18-12(20)8-19-5-4-17-7-9(19)6-16/h1-3,9,17H,4-5,7-8H2,(H,18,20)
InChIKeyOIKIVOZWBZQYGJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.70
Rot. Bonds3

About 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide

2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide (PubChem CID 79085859) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide
PubChem CID79085859
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide
SMILESN#CC1CNCCN1CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H14F2N4O/c14-10-2-1-3-11(15)13(10)18-12(20)8-19-5-4-17-7-9(19)6-16/h1-3,9,17H,4-5,7-8H2,(H,18,20)
InChIKeyOIKIVOZWBZQYGJ-UHFFFAOYSA-N
XLogP0.70
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide
CID 79094397
2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 79085962
2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 79085741
2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 79086401
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
CID 79085462
2-(2-cyanopiperazin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 79086537
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2-cyanopiperazin-1-yl)acetamide
CID 79094403
2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 79085439
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide
CID 79094861
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide (CID 79085859) is 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide is N#CC1CNCCN1CC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is OIKIVOZWBZQYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c14-10-2-1-3-11(15)13(10)18-12(20)8-19-5-4-17-7-9(19)6-16/h1-3,9,17H,4-5,7-8H2,(H,18,20).
What are the key properties of 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide?
2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 280.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 79085859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).