(4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone

C19H21F3N4O2 — CID 133432626

IUPAC(4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1
InChIInChI=1S/C19H21F3N4O2/c1-2-28-15-5-3-13(4-6-15)18(27)26-11-9-14(10-12-26)23-17-8-7-16(24-25-17)19(20,21)22/h3-8,14H,2,9-12H2,1H3,(H,23,25)
InChIKeyJUMFIYUHPFKDRN-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.61
Rot. Bonds5

About (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone

(4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone (PubChem CID 133432626) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
PubChem CID133432626
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name(4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1
InChIInChI=1S/C19H21F3N4O2/c1-2-28-15-5-3-13(4-6-15)18(27)26-11-9-14(10-12-26)23-17-8-7-16(24-25-17)19(20,21)22/h3-8,14H,2,9-12H2,1H3,(H,23,25)
InChIKeyJUMFIYUHPFKDRN-UHFFFAOYSA-N
XLogP3.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 167747728
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126888363
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 108563446
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56778575
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone (CID 133432626) is (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone?
The InChIKey is JUMFIYUHPFKDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-2-28-15-5-3-13(4-6-15)18(27)26-11-9-14(10-12-26)23-17-8-7-16(24-25-17)19(20,21)22/h3-8,14H,2,9-12H2,1H3,(H,23,25).
What are the key properties of (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone?
(4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone has a molecular weight of 394.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 133432626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).