[(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C15H18F3N3O2 — CID 95243004

IUPAC[(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)12-4-1-5-13(19-12)20-6-8-21(9-7-20)14(22)11-3-2-10-23-11/h1,4-5,11H,2-3,6-10H2/t11-/m0/s1
InChIKeyGKYJKLPOWRTXRG-NSHDSACASA-N
MW329.32 g/mol
LogP1.93
Rot. Bonds2

About [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 95243004) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID95243004
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name[(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)12-4-1-5-13(19-12)20-6-8-21(9-7-20)14(22)11-3-2-10-23-11/h1,4-5,11H,2-3,6-10H2/t11-/m0/s1
InChIKeyGKYJKLPOWRTXRG-NSHDSACASA-N
XLogP1.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 95243004) is [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C([C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is GKYJKLPOWRTXRG-NSHDSACASA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)12-4-1-5-13(19-12)20-6-8-21(9-7-20)14(22)11-3-2-10-23-11/h1,4-5,11H,2-3,6-10H2/t11-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 329.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95243004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).