2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

C16H23F3N4O2 — CID 120800942

IUPAC2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C1CCOCC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)12-9-21-14(22-12)11-1-5-23(6-2-11)15(24)13(20)10-3-7-25-8-4-10/h9-11,13H,1-8,20H2,(H,21,22)
InChIKeyJOUPJMRUNGSGEK-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.89
Rot. Bonds3

About 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 120800942) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID120800942
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C1CCOCC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)12-9-21-14(22-12)11-1-5-23(6-2-11)15(24)13(20)10-3-7-25-8-4-10/h9-11,13H,1-8,20H2,(H,21,22)
InChIKeyJOUPJMRUNGSGEK-UHFFFAOYSA-N
XLogP1.89
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-amino-2-(oxan-4-yl)-1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 120798878
(2-aminocyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 154762871
[(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 100647291
2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 111540290
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
2-amino-2-(oxan-4-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;dihydrochloride
CID 120796843
2-cyclopentyl-5-(trifluoromethyl)-1H-imidazole
CID 71204532
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120791567
2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 120789992
2-amino-2-(oxan-4-yl)-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride
CID 120793505
2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120800589
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120794119

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (CID 120800942) is 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is NC(C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is JOUPJMRUNGSGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c17-16(18,19)12-9-21-14(22-12)11-1-5-23(6-2-11)15(24)13(20)10-3-7-25-8-4-10/h9-11,13H,1-8,20H2,(H,21,22).
What are the key properties of 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 360.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 120800942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).