4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

C15H16F3N3O3 — CID 139022872

IUPAC4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESO=C(C1CCOC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)12-7-11(1-3-19-12)21-5-4-20(8-13(21)22)14(23)10-2-6-24-9-10/h1,3,7,10H,2,4-6,8-9H2
InChIKeyWKPXMXDBPFFCIB-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.31
Rot. Bonds2

About 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (PubChem CID 139022872) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
PubChem CID139022872
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESO=C(C1CCOC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)12-7-11(1-3-19-12)21-5-4-20(8-13(21)22)14(23)10-2-6-24-9-10/h1,3,7,10H,2,4-6,8-9H2
InChIKeyWKPXMXDBPFFCIB-UHFFFAOYSA-N
XLogP1.31
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.31
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-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023005
morpholin-4-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanone
CID 165434721
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
4-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxylic acid
CID 138385150
piperidin-1-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methanone
CID 166602700
4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 163349454
1-phenyl-4-(piperidine-4-carbonyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 163340386
3-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 139028746

Frequently Asked Questions

What is the IUPAC name of 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The IUPAC name of 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (CID 139022872) is 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is O=C(C1CCOC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1.
What is the InChIKey of 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The InChIKey is WKPXMXDBPFFCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c16-15(17,18)12-7-11(1-3-19-12)21-5-4-20(8-13(21)22)14(23)10-2-6-24-9-10/h1,3,7,10H,2,4-6,8-9H2.
What are the key properties of 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one has a molecular weight of 343.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolane-3-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 139022872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).