N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C18H19F3N4O — CID 113108755

IUPACN-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-3-1-2-4-16(15)24-9-11-25(12-10-24)17(26)23-13-14-5-7-22-8-6-14/h1-8H,9-13H2,(H,23,26)
InChIKeyNGLFNDCBMRNAHT-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.13
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 113108755) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID113108755
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-3-1-2-4-16(15)24-9-11-25(12-10-24)17(26)23-13-14-5-7-22-8-6-14/h1-8H,9-13H2,(H,23,26)
InChIKeyNGLFNDCBMRNAHT-UHFFFAOYSA-N
XLogP3.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108765
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108791
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113078021
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 86912557
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
4-(2-bromophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108620
N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114078
N-benzyl-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113106639

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 113108755) is N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(NCc1ccncc1)N1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is NGLFNDCBMRNAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)15-3-1-2-4-16(15)24-9-11-25(12-10-24)17(26)23-13-14-5-7-22-8-6-14/h1-8H,9-13H2,(H,23,26).
What are the key properties of N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113108755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).