4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide

C18H16F2N4O — CID 113114880

IUPAC4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C18H16F2N4O/c19-16-5-4-14(11-17(16)20)22-18(25)24-8-6-23(7-9-24)15-3-1-2-13(10-15)12-21/h1-5,10-11H,6-9H2,(H,22,25)
InChIKeyUQDISFAJVYMLHZ-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.19
Rot. Bonds2

About 4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide

4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113114880) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
PubChem CID113114880
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C18H16F2N4O/c19-16-5-4-14(11-17(16)20)22-18(25)24-8-6-23(7-9-24)15-3-1-2-13(10-15)12-21/h1-5,10-11H,6-9H2,(H,22,25)
InChIKeyUQDISFAJVYMLHZ-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

4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
methyl 4-[4-[(3,4-difluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114382
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108801

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide (CID 113114880) is 4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide is N#Cc1cccc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of 4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is UQDISFAJVYMLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-16-5-4-14(11-17(16)20)22-18(25)24-8-6-23(7-9-24)15-3-1-2-13(10-15)12-21/h1-5,10-11H,6-9H2,(H,22,25).
What are the key properties of 4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide?
4-(3-cyanophenyl)-N-(3,4-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-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113114880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).