2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide

C23H21F3N4O2 — CID 15603887

IUPAC2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)17-8-4-7-16(13-17)22(32)9-11-30(12-10-22)21-28-18(14-19(29-21)20(27)31)15-5-2-1-3-6-15/h1-8,13-14,32H,9-12H2,(H2,27,31)
InChIKeyQRXBZSVJFITYPZ-UHFFFAOYSA-N
MW442.44 g/mol
LogP3.75
Rot. Bonds4

About 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide

2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide (PubChem CID 15603887) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide
PubChem CID15603887
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)17-8-4-7-16(13-17)22(32)9-11-30(12-10-22)21-28-18(14-19(29-21)20(27)31)15-5-2-1-3-6-15/h1-8,13-14,32H,9-12H2,(H2,27,31)
InChIKeyQRXBZSVJFITYPZ-UHFFFAOYSA-N
XLogP3.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide (CID 15603887) is 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide is NC(=O)c1cc(-c2ccccc2)nc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide?
The InChIKey is QRXBZSVJFITYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)17-8-4-7-16(13-17)22(32)9-11-30(12-10-22)21-28-18(14-19(29-21)20(27)31)15-5-2-1-3-6-15/h1-8,13-14,32H,9-12H2,(H2,27,31).
What are the key properties of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide?
2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 15603887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).