morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone

C17H23F3N4O2 — CID 56865915

IUPACmorpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nccc(CCC(F)(F)F)n2)CC1)N1CCOCC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)5-1-14-2-6-21-16(22-14)24-7-3-13(4-8-24)15(25)23-9-11-26-12-10-23/h2,6,13H,1,3-5,7-12H2
InChIKeyYZZZUMVNBVEYDG-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.05
Rot. Bonds4

About morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone

morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone (PubChem CID 56865915) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone
PubChem CID56865915
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Namemorpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nccc(CCC(F)(F)F)n2)CC1)N1CCOCC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)5-1-14-2-6-21-16(22-14)24-7-3-13(4-8-24)15(25)23-9-11-26-12-10-23/h2,6,13H,1,3-5,7-12H2
InChIKeyYZZZUMVNBVEYDG-UHFFFAOYSA-N
XLogP2.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone (CID 56865915) is morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone is O=C(C1CCN(c2nccc(CCC(F)(F)F)n2)CC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The InChIKey is YZZZUMVNBVEYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c18-17(19,20)5-1-14-2-6-21-16(22-14)24-7-3-13(4-8-24)15(25)23-9-11-26-12-10-23/h2,6,13H,1,3-5,7-12H2.
What are the key properties of morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone has a molecular weight of 372.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 56865915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).