1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C18H18ClF3N4O — CID 35440215

IUPAC1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C18H18ClF3N4O/c19-15-4-5-16(25-24-15)26-8-6-13(7-9-26)17(27)23-11-12-2-1-3-14(10-12)18(20,21)22/h1-5,10,13H,6-9,11H2,(H,23,27)
InChIKeyFUPKFWPIZHLPIG-UHFFFAOYSA-N
MW398.82 g/mol
LogP3.68
Rot. Bonds4

About 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 35440215) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID35440215
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C18H18ClF3N4O/c19-15-4-5-16(25-24-15)26-8-6-13(7-9-26)17(27)23-11-12-2-1-3-14(10-12)18(20,21)22/h1-5,10,13H,6-9,11H2,(H,23,27)
InChIKeyFUPKFWPIZHLPIG-UHFFFAOYSA-N
XLogP3.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27515044
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 101041721
N-[(3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 171473313
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 171473329
1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 117087106
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118846
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 35440215) is 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is FUPKFWPIZHLPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c19-15-4-5-16(25-24-15)26-8-6-13(7-9-26)17(27)23-11-12-2-1-3-14(10-12)18(20,21)22/h1-5,10,13H,6-9,11H2,(H,23,27).
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 35440215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).