4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide

C20H21FN4O — CID 113109233

IUPAC4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O/c21-18-7-5-16(6-8-18)9-10-23-20(26)25-13-11-24(12-14-25)19-4-2-1-3-17(19)15-22/h1-8H,9-14H2,(H,23,26)
InChIKeyBAYXHLHJMKQIBU-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.77
Rot. Bonds4

About 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide

4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109233) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109233
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O/c21-18-7-5-16(6-8-18)9-10-23-20(26)25-13-11-24(12-14-25)19-4-2-1-3-17(19)15-22/h1-8H,9-14H2,(H,23,26)
InChIKeyBAYXHLHJMKQIBU-UHFFFAOYSA-N
XLogP2.77
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
4-(2,6-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109230
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530710
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109182
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60510944
methyl 3-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperazin-1-yl]benzoate
CID 113109215

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 113109233) is 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide is N#Cc1ccccc1N1CCN(C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is BAYXHLHJMKQIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-18-7-5-16(6-8-18)9-10-23-20(26)25-13-11-24(12-14-25)19-4-2-1-3-17(19)15-22/h1-8H,9-14H2,(H,23,26).
What are the key properties of 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).