5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C19H20F3N3O2 — CID 56868026

IUPAC5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)16-6-2-1-5-14(16)8-7-13-4-3-9-25(11-13)18(27)15-10-23-12-24-17(15)26/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,23,24,26)
InChIKeyFSWKWWXHZRINPK-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.27
Rot. Bonds4

About 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56868026) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID56868026
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)16-6-2-1-5-14(16)8-7-13-4-3-9-25(11-13)18(27)15-10-23-12-24-17(15)26/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,23,24,26)
InChIKeyFSWKWWXHZRINPK-UHFFFAOYSA-N
XLogP3.27
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 56868026) is 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc[nH]c1=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is FSWKWWXHZRINPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)16-6-2-1-5-14(16)8-7-13-4-3-9-25(11-13)18(27)15-10-23-12-24-17(15)26/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,23,24,26).
What are the key properties of 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 379.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56868026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).