1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one

C16H22F3N5O2 — CID 71058110

IUPAC1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)13-3-4-20-15(21-13)23-8-6-22(7-9-23)10-12(25)11-24-5-1-2-14(24)26/h3-4,12,25H,1-2,5-11H2
InChIKeyAIMXHMMYUIESMD-UHFFFAOYSA-N
MW373.38 g/mol
LogP0.60
Rot. Bonds5

About 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one

1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 71058110) has the molecular formula C16H22F3N5O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID71058110
Molecular FormulaC16H22F3N5O2
Molecular Weight373.38 g/mol
Exact Mass373.17
IUPAC Name1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)13-3-4-20-15(21-13)23-8-6-22(7-9-23)10-12(25)11-24-5-1-2-14(24)26/h3-4,12,25H,1-2,5-11H2
InChIKeyAIMXHMMYUIESMD-UHFFFAOYSA-N
XLogP0.60
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one (CID 71058110) is 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is AIMXHMMYUIESMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O2/c17-16(18,19)13-3-4-20-15(21-13)23-8-6-22(7-9-23)10-12(25)11-24-5-1-2-14(24)26/h3-4,12,25H,1-2,5-11H2.
What are the key properties of 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 373.38 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 71058110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).