4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

C15H17F3N4O3 — CID 139023005

IUPAC4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESO=C(N1CCOCC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)12-9-11(1-2-19-12)22-4-3-21(10-13(22)23)14(24)20-5-7-25-8-6-20/h1-2,9H,3-8,10H2
InChIKeyPJHRYTAQKUUPIK-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.20
Rot. Bonds1

About 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (PubChem CID 139023005) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
PubChem CID139023005
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESO=C(N1CCOCC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)12-9-11(1-2-19-12)22-4-3-21(10-13(22)23)14(24)20-5-7-25-8-6-20/h1-2,9H,3-8,10H2
InChIKeyPJHRYTAQKUUPIK-UHFFFAOYSA-N
XLogP1.20
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine-1-carboxamide
CID 139028801
4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139022872
2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 139023048
1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 166609012
4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023411
4-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023602
morpholin-4-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanone
CID 165434721
4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 163349454
3-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 139028746
4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139028770
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139029314
4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 163352175

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The IUPAC name of 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (CID 139023005) is 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is O=C(N1CCOCC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The InChIKey is PJHRYTAQKUUPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c16-15(17,18)12-9-11(1-2-19-12)22-4-3-21(10-13(22)23)14(24)20-5-7-25-8-6-20/h1-2,9H,3-8,10H2.
What are the key properties of 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one has a molecular weight of 358.32 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 139023005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).