morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

C15H20F3N5O2 — CID 72849252

IUPACmorpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N5O2/c16-15(17,18)12-1-4-19-13(21-12)20-11-2-5-22(6-3-11)14(24)23-7-9-25-10-8-23/h1,4,11H,2-3,5-10H2,(H,19,20,21)
InChIKeyMJQGRMDRTCUTCL-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.82
Rot. Bonds2

About morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 72849252) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID72849252
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC Namemorpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N5O2/c16-15(17,18)12-1-4-19-13(21-12)20-11-2-5-22(6-3-11)14(24)23-7-9-25-10-8-23/h1,4,11H,2-3,5-10H2,(H,19,20,21)
InChIKeyMJQGRMDRTCUTCL-UHFFFAOYSA-N
XLogP1.82
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 72849252) is morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is O=C(N1CCOCC1)N1CCC(Nc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is MJQGRMDRTCUTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2/c16-15(17,18)12-1-4-19-13(21-12)20-11-2-5-22(6-3-11)14(24)23-7-9-25-10-8-23/h1,4,11H,2-3,5-10H2,(H,19,20,21).
What are the key properties of morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 359.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 72849252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).