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

C15H21F3N4O2 — CID 164635704

IUPAC[(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCN1CCO[C@H](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)/t11-/m0/s1
InChIKeyLCOQMQBCHNQWNE-NSHDSACASA-N
MW346.35 g/mol
LogP1.47
Rot. Bonds2

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

[(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 164635704) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is [(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID164635704
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name[(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCN1CCO[C@H](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)/t11-/m0/s1
InChIKeyLCOQMQBCHNQWNE-NSHDSACASA-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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 164635704) is [(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is CN1CCO[C@H](C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1.
What is the InChIKey of [(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LCOQMQBCHNQWNE-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of [(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
[(2S)-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 [(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 164635704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).