N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide

C14H16FN5O2 — CID 37121528

IUPACN-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide
SMILESN#Cc1c(F)cccc1N1CCN(CC(=O)NC(N)=O)CC1
InChIInChI=1S/C14H16FN5O2/c15-11-2-1-3-12(10(11)8-16)20-6-4-19(5-7-20)9-13(21)18-14(17)22/h1-3H,4-7,9H2,(H3,17,18,21,22)
InChIKeyRTHBGUKWJKRRPD-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.01
Rot. Bonds3

About N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide

N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 37121528) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID37121528
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC NameN-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide
SMILESN#Cc1c(F)cccc1N1CCN(CC(=O)NC(N)=O)CC1
InChIInChI=1S/C14H16FN5O2/c15-11-2-1-3-12(10(11)8-16)20-6-4-19(5-7-20)9-13(21)18-14(17)22/h1-3H,4-7,9H2,(H3,17,18,21,22)
InChIKeyRTHBGUKWJKRRPD-UHFFFAOYSA-N
XLogP0.01
TPSA102.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 51245848
2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile
CID 37122747
2-fluoro-6-[4-(5-hydroxypentyl)piperazin-1-yl]benzonitrile
CID 110923709
2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55680557
N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide
CID 136526133
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
tert-butyl 4-(2-cyano-3-fluorophenyl)piperazine-1-carboxylate
CID 51111672
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile
CID 95233026
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31339544
2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60508939
3-[[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122019322

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide (CID 37121528) is N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide is N#Cc1c(F)cccc1N1CCN(CC(=O)NC(N)=O)CC1.
What is the InChIKey of N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is RTHBGUKWJKRRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-11-2-1-3-12(10(11)8-16)20-6-4-19(5-7-20)9-13(21)18-14(17)22/h1-3H,4-7,9H2,(H3,17,18,21,22).
What are the key properties of N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide?
N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 305.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 37121528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).