4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C19H16F4N4O — CID 10363082

IUPAC4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1C(F)(F)F
InChIInChI=1S/C19H16F4N4O/c20-14-2-4-15(5-3-14)25-18(28)27-9-7-26(8-10-27)16-6-1-13(12-24)17(11-16)19(21,22)23/h1-6,11H,7-10H2,(H,25,28)
InChIKeySTKJJPOWNNQRKX-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.07
Rot. Bonds2

About 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 10363082) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID10363082
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1C(F)(F)F
InChIInChI=1S/C19H16F4N4O/c20-14-2-4-15(5-3-14)25-18(28)27-9-7-26(8-10-27)16-6-1-13(12-24)17(11-16)19(21,22)23/h1-6,11H,7-10H2,(H,25,28)
InChIKeySTKJJPOWNNQRKX-UHFFFAOYSA-N
XLogP4.07
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 11178122
1,1-Dibenzyl-3-(3,4-xylyl)urea
CID 3687938
(3R,4R)-3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)piperidine-1-carboxamide
CID 16202915
1-(1-Benzylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 3848011
4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 732316
8K5G4U34CU
CID 44249745
C2Pjp69bqr
CID 44622882
[4-[2-[4-[3-Cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]urea
CID 118714496
N-{2-[4-(4-ethylphenyl)-1-piperazinyl]ethyl}-N'-phenylurea
CID 1256791
1-(3,4-Dimethylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6468665
N-(2-fluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 24818437
N-(3,4-dimethylphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818459

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 10363082) is 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is N#Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is STKJJPOWNNQRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c20-14-2-4-15(5-3-14)25-18(28)27-9-7-26(8-10-27)16-6-1-13(12-24)17(11-16)19(21,22)23/h1-6,11H,7-10H2,(H,25,28).
What are the key properties of 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 10363082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).