1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C18H19F3N4O3 — CID 71795340

IUPAC1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCn1nc(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccc1=O
InChIInChI=1S/C18H19F3N4O3/c1-24-16(26)7-6-15(23-24)25-10-8-12(9-11-25)17(27)22-13-2-4-14(5-3-13)28-18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,27)
InChIKeyFZBWJJCCWXGJLF-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.53
Rot. Bonds4

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

1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 71795340) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID71795340
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCn1nc(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccc1=O
InChIInChI=1S/C18H19F3N4O3/c1-24-16(26)7-6-15(23-24)25-10-8-12(9-11-25)17(27)22-13-2-4-14(5-3-13)28-18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,27)
InChIKeyFZBWJJCCWXGJLF-UHFFFAOYSA-N
XLogP2.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 71795340) is 1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is Cn1nc(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is FZBWJJCCWXGJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-24-16(26)7-6-15(23-24)25-10-8-12(9-11-25)17(27)22-13-2-4-14(5-3-13)28-18(19,20)21/h2-7,12H,8-11H2,1H3,(H,22,27).
What are the key properties of 1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 71795340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).