4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide

C18H16F2N4O — CID 3758236

IUPAC4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H16F2N4O/c19-14-5-6-16(15(20)11-14)22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2,(H,22,25)
InChIKeyWOJAHMYSZVZUIE-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.19
Rot. Bonds2

About 4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide

4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide (PubChem CID 3758236) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
PubChem CID3758236
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H16F2N4O/c19-14-5-6-16(15(20)11-14)22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2,(H,22,25)
InChIKeyWOJAHMYSZVZUIE-UHFFFAOYSA-N
XLogP3.19
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide
CID 3815113
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 78839911
N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902220
N-(2,4-difluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2955750
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
CID 3799231
4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 74229078
4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109233
methyl 2-[[4-(2,4-difluorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 113114335
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide (CID 3758236) is 4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide is N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is WOJAHMYSZVZUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-14-5-6-16(15(20)11-14)22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2,(H,22,25).
What are the key properties of 4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.19, 2 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-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3758236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).