(4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C15H21F3N4O2 — CID 136561648

IUPAC(4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCN1CCOC(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1
InChIInChI=1S/C15H21F3N4O2/c1-21-6-7-24-11(9-21)14(23)22-4-2-10(3-5-22)13-19-8-12(20-13)15(16,17)18/h8,10-11H,2-7,9H2,1H3,(H,19,20)
InChIKeyLCOQMQBCHNQWNE-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.47
Rot. Bonds2

About (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

(4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 136561648) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID136561648
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name(4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCN1CCOC(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1
InChIInChI=1S/C15H21F3N4O2/c1-21-6-7-24-11(9-21)14(23)22-4-2-10(3-5-22)13-19-8-12(20-13)15(16,17)18/h8,10-11H,2-7,9H2,1H3,(H,19,20)
InChIKeyLCOQMQBCHNQWNE-UHFFFAOYSA-N
XLogP1.47
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 136561648) is (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is CN1CCOC(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1.
What is the InChIKey of (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LCOQMQBCHNQWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-21-6-7-24-11(9-21)14(23)22-4-2-10(3-5-22)13-19-8-12(20-13)15(16,17)18/h8,10-11H,2-7,9H2,1H3,(H,19,20).
What are the key properties of (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 346.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 136561648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).