2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

C15H22F3N5O — CID 126774178

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(Nc2cccnn2)CC1)N(C)CC(F)(F)F
InChIInChI=1S/C15H22F3N5O/c1-11(22(2)10-15(16,17)18)14(24)23-8-5-12(6-9-23)20-13-4-3-7-19-21-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,20,21)
InChIKeyIWDFFMNOCWAJCA-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.76
Rot. Bonds5

About 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 126774178) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
PubChem CID126774178
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(Nc2cccnn2)CC1)N(C)CC(F)(F)F
InChIInChI=1S/C15H22F3N5O/c1-11(22(2)10-15(16,17)18)14(24)23-8-5-12(6-9-23)20-13-4-3-7-19-21-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,20,21)
InChIKeyIWDFFMNOCWAJCA-UHFFFAOYSA-N
XLogP1.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

N-methyl-1-(pyridazin-3-yl)piperidin-4-amine
CID 54594801
(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
CID 94476470
2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-N-(oxan-4-yl)acetamide
CID 53625039
5-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56778508
2-Pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 56778529
4-Methoxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 56778538
N-[1-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]cyclohexyl]acetamide
CID 56778541
N-(3-methoxypropyl)-2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]acetamide
CID 56802872
2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide
CID 71878645
4-Tert-butylsulfanyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 75388261
1-[4-(Pyridazin-3-ylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 75533107
N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
CID 95817059

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (CID 126774178) is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCC(Nc2cccnn2)CC1)N(C)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is IWDFFMNOCWAJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-11(22(2)10-15(16,17)18)14(24)23-8-5-12(6-9-23)20-13-4-3-7-19-21-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 345.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126774178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).