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

C16H22F3N5O2 — CID 56880472

IUPACmorpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)3-1-13-2-4-20-14(21-13)22-5-7-23(8-6-22)15(25)24-9-11-26-12-10-24/h2,4H,1,3,5-12H2
InChIKeyFIVXQOQYOWZAGL-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.55
Rot. Bonds3

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

morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 56880472) has the molecular formula C16H22F3N5O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID56880472
Molecular FormulaC16H22F3N5O2
Molecular Weight373.38 g/mol
Exact Mass373.17
IUPAC Namemorpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)3-1-13-2-4-20-14(21-13)22-5-7-23(8-6-22)15(25)24-9-11-26-12-10-24/h2,4H,1,3,5-12H2
InChIKeyFIVXQOQYOWZAGL-UHFFFAOYSA-N
XLogP1.55
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 56880472) is morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone is O=C(N1CCOCC1)N1CCN(c2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is FIVXQOQYOWZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O2/c17-16(18,19)3-1-13-2-4-20-14(21-13)22-5-7-23(8-6-22)15(25)24-9-11-26-12-10-24/h2,4H,1,3,5-12H2.
What are the key properties of morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 373.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 56880472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).