4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide

C17H17F3N4O — CID 113108369

IUPAC4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H17F3N4O/c18-13-4-5-14(16(20)15(13)19)22-17(25)24-9-7-23(8-10-24)11-12-3-1-2-6-21-12/h1-6H,7-11H2,(H,22,25)
InChIKeyVVILYPDWEJLJFN-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.85
Rot. Bonds3

About 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide

4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide (PubChem CID 113108369) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
PubChem CID113108369
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H17F3N4O/c18-13-4-5-14(16(20)15(13)19)22-17(25)24-9-7-23(8-10-24)11-12-3-1-2-6-21-12/h1-6H,7-11H2,(H,22,25)
InChIKeyVVILYPDWEJLJFN-UHFFFAOYSA-N
XLogP2.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 75523527
N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534
N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797210
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide (CID 113108369) is 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)c(F)c1F)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The InChIKey is VVILYPDWEJLJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-13-4-5-14(16(20)15(13)19)22-17(25)24-9-7-23(8-10-24)11-12-3-1-2-6-21-12/h1-6H,7-11H2,(H,22,25).
What are the key properties of 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).