1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C13H17F3N4O2 — CID 71795320

IUPAC1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCn1nc(N2CCC(C(=O)NCC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C13H17F3N4O2/c1-19-11(21)3-2-10(18-19)20-6-4-9(5-7-20)12(22)17-8-13(14,15)16/h2-3,9H,4-8H2,1H3,(H,17,22)
InChIKeyFOKQGWCBOIWZAB-UHFFFAOYSA-N
MW318.30 g/mol
LogP0.68
Rot. Bonds3

About 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 71795320) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID71795320
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCn1nc(N2CCC(C(=O)NCC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C13H17F3N4O2/c1-19-11(21)3-2-10(18-19)20-6-4-9(5-7-20)12(22)17-8-13(14,15)16/h2-3,9H,4-8H2,1H3,(H,17,22)
InChIKeyFOKQGWCBOIWZAB-UHFFFAOYSA-N
XLogP0.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 71795289
3-[(4-oxo-4-piperazin-1-ylbutyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171778966
1-(1-methyl-6-oxo-1,6-dihydropyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722659
1-(1-Methyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-piperidine-4-carboxylic acid allyl-(2-amino-ethyl)-amide dihydrochloride
CID 69228075
1-(1-Methyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-piperidine-4-carboxylic acid allyl-(2-amino-ethyl)-amide
CID 69228076
6-[4-(Piperazine-1-carbonyl)-piperidin-1-yl]-2H-pyridazin-3-one hydrochloride
CID 69249810
3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 69249811
1-(1-Methyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-piperidine-4-carboxylic acid (2-amino-ethyl)-amide hydrochloride
CID 86622553
N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 86622554
N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 90708660
N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 90883841
2-(1-Methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 121313832

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 71795320) is 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cn1nc(N2CCC(C(=O)NCC(F)(F)F)CC2)ccc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is FOKQGWCBOIWZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-19-11(21)3-2-10(18-19)20-6-4-9(5-7-20)12(22)17-8-13(14,15)16/h2-3,9H,4-8H2,1H3,(H,17,22).
What are the key properties of 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 71795320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).