oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C14H17F3N4O2 — CID 121180517

IUPACoxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)11-7-12(19-9-18-11)20-2-4-21(5-3-20)13(22)10-1-6-23-8-10/h7,9-10H,1-6,8H2
InChIKeyQBWDOCXGGPTZDI-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.18
Rot. Bonds2

About oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 121180517) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID121180517
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Nameoxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)11-7-12(19-9-18-11)20-2-4-21(5-3-20)13(22)10-1-6-23-8-10/h7,9-10H,1-6,8H2
InChIKeyQBWDOCXGGPTZDI-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 118020322
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CID 126614231
CID 126614231
CID 53565746
CID 53565746
CID 56826569
CID 56826569
CID 56826570
CID 56826570
CID 91631522
CID 91631522
CID 91817782
CID 91817782
CID 91817842
CID 91817842
CID 121180514
CID 121180514
CID 121180539
CID 121180539
CID 124760757
CID 124760757

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 121180517) is oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(C1CCOC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is QBWDOCXGGPTZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c15-14(16,17)11-7-12(19-9-18-11)20-2-4-21(5-3-20)13(22)10-1-6-23-8-10/h7,9-10H,1-6,8H2.
What are the key properties of oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 330.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121180517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).