(4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone

C20H28F3N3O2 — CID 25125372

IUPAC(4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone
SMILESCC(C)N1CCN(C(=O)C2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C20H28F3N3O2/c1-14(2)25-9-11-26(12-10-25)19(27)15-3-6-17(7-4-15)28-18-8-5-16(13-24-18)20(21,22)23/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3
InChIKeyRRGODXIASGXPIS-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.59
Rot. Bonds4

About (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone

(4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone (PubChem CID 25125372) has the molecular formula C20H28F3N3O2 and a molecular weight of 399.46 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone
PubChem CID25125372
Molecular FormulaC20H28F3N3O2
Molecular Weight399.46 g/mol
Exact Mass399.21
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone
SMILESCC(C)N1CCN(C(=O)C2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C20H28F3N3O2/c1-14(2)25-9-11-26(12-10-25)19(27)15-3-6-17(7-4-15)28-18-8-5-16(13-24-18)20(21,22)23/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3
InChIKeyRRGODXIASGXPIS-UHFFFAOYSA-N
XLogP3.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone with MolForge

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Related Compounds

4-[(5-fluoro-2-pyridinyl)oxy]-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 56960875
(4-Methoxyphenyl)(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)methanone hydrochloride
CID 24761156
4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 841534
4-Methyl-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635635
(6-(4-Fluorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771017
(4-Isopropylpiperazin-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771245
(1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [(S)-1-(6-isopropoxy-pyridin-3-yl)-ethyl]-amide
CID 71201914
US11045457, Example 110
CID 146401856
4-butoxy-N-(2-pyridinylmethyl)benzamide
CID 2231736
[4-(4-Methoxyphenyl)piperazino](4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)methanone
CID 4263257
4-[1-(4-Ethoxybenzoyl)piperidin-4-yl]pyridine
CID 16033080
2-[(4-{4-[(4-Methoxy-1-piperidinyl)carbonyl]phenoxy}-1-piperidinyl)methyl]pyridine
CID 16187445

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone (CID 25125372) is (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone is CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone?
The InChIKey is RRGODXIASGXPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2/c1-14(2)25-9-11-26(12-10-25)19(27)15-3-6-17(7-4-15)28-18-8-5-16(13-24-18)20(21,22)23/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone has a molecular weight of 399.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]methanone is sourced from PubChem (CID 25125372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).