N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C17H17F3N4O — CID 2741409

IUPACN-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)14-7-4-8-21-15(14)23-9-11-24(12-10-23)16(25)22-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,22,25)
InChIKeyBFDHDGZKUIBUCK-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.45
Rot. Bonds2

About N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 2741409) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID2741409
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)14-7-4-8-21-15(14)23-9-11-24(12-10-23)16(25)22-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,22,25)
InChIKeyBFDHDGZKUIBUCK-UHFFFAOYSA-N
XLogP3.45
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 2741409) is N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is BFDHDGZKUIBUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)14-7-4-8-21-15(14)23-9-11-24(12-10-23)16(25)22-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,22,25).
What are the key properties of N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 2741409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).