N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide

C20H16F6N4O — CID 3799231

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H16F6N4O/c21-19(22,23)14-9-15(20(24,25)26)11-16(10-14)28-18(31)30-7-5-29(6-8-30)17-4-2-1-3-13(17)12-27/h1-4,9-11H,5-8H2,(H,28,31)
InChIKeyJZIALPDEOIDVOG-UHFFFAOYSA-N
MW442.36 g/mol
LogP4.95
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide (PubChem CID 3799231) has the molecular formula C20H16F6N4O and a molecular weight of 442.36 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
PubChem CID3799231
Molecular FormulaC20H16F6N4O
Molecular Weight442.36 g/mol
Exact Mass442.12
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1N1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H16F6N4O/c21-19(22,23)14-9-15(20(24,25)26)11-16(10-14)28-18(31)30-7-5-29(6-8-30)17-4-2-1-3-13(17)12-27/h1-4,9-11H,5-8H2,(H,28,31)
InChIKeyJZIALPDEOIDVOG-UHFFFAOYSA-N
XLogP4.95
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyanophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3821127
4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 74229078
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide
CID 3815113
4-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111996
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 3810723
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 23821172
4-(2-cyanophenyl)-N-(2,6-dibromo-4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 3818405
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazine-1-carboxamide
CID 59013796
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide (CID 3799231) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide is N#Cc1ccccc1N1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is JZIALPDEOIDVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N4O/c21-19(22,23)14-9-15(20(24,25)26)11-16(10-14)28-18(31)30-7-5-29(6-8-30)17-4-2-1-3-13(17)12-27/h1-4,9-11H,5-8H2,(H,28,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 442.36 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3799231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).