4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide

C14H17FN4O — CID 63340900

IUPAC4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C#N)N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C14H17FN4O/c1-11(10-16)18-5-7-19(8-6-18)14(20)17-13-4-2-3-12(15)9-13/h2-4,9,11H,5-8H2,1H3,(H,17,20)
InChIKeyNAGIBXFVNYVWKB-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.89
Rot. Bonds2

About 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide

4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 63340900) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID63340900
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C#N)N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C14H17FN4O/c1-11(10-16)18-5-7-19(8-6-18)14(20)17-13-4-2-3-12(15)9-13/h2-4,9,11H,5-8H2,1H3,(H,17,20)
InChIKeyNAGIBXFVNYVWKB-UHFFFAOYSA-N
XLogP1.89
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide 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

4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 63338979
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
N-[3-(tert-butylcarbamoyl)phenyl]-4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 55820059
4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221443
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
4-[bis(4-fluorophenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17171393
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
CID 119857266
4-[(1S)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221460

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide (CID 63340900) is 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide is CC(C#N)N1CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is NAGIBXFVNYVWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-11(10-16)18-5-7-19(8-6-18)14(20)17-13-4-2-3-12(15)9-13/h2-4,9,11H,5-8H2,1H3,(H,17,20).
What are the key properties of 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanoethyl)-N-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 63340900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).