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

C18H19F3N4O — CID 11428484

IUPAC4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N4O/c1-13-3-2-8-22-16(13)24-9-11-25(12-10-24)17(26)23-15-6-4-14(5-7-15)18(19,20)21/h2-8H,9-12H2,1H3,(H,23,26)
InChIKeyNGVOFCKLNMBOIB-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.76
Rot. Bonds2

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

4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 11428484) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID11428484
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N4O/c1-13-3-2-8-22-16(13)24-9-11-25(12-10-24)17(26)23-15-6-4-14(5-7-15)18(19,20)21/h2-8H,9-12H2,1H3,(H,23,26)
InChIKeyNGVOFCKLNMBOIB-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 4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 11428484) is 4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is NGVOFCKLNMBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-13-3-2-8-22-16(13)24-9-11-25(12-10-24)17(26)23-15-6-4-14(5-7-15)18(19,20)21/h2-8H,9-12H2,1H3,(H,23,26).
What are the key properties of 4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]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 4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 11428484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).