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

C18H19F3N4O — CID 2741741

IUPACN-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C18H19F3N4O/c1-13-4-6-14(7-5-13)23-17(26)25-11-9-24(10-12-25)16-15(18(19,20)21)3-2-8-22-16/h2-8H,9-12H2,1H3,(H,23,26)
InChIKeyRUPSYJLMLWRWPS-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.76
Rot. Bonds2

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

N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 2741741) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID2741741
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C18H19F3N4O/c1-13-4-6-14(7-5-13)23-17(26)25-11-9-24(10-12-25)16-15(18(19,20)21)3-2-8-22-16/h2-8H,9-12H2,1H3,(H,23,26)
InChIKeyRUPSYJLMLWRWPS-UHFFFAOYSA-N
XLogP3.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 2741741) is N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is RUPSYJLMLWRWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-13-4-6-14(7-5-13)23-17(26)25-11-9-24(10-12-25)16-15(18(19,20)21)3-2-8-22-16/h2-8H,9-12H2,1H3,(H,23,26).
What are the key properties of N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 2741741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).