N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C23H20F4N4O — CID 90519241

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C23H20F4N4O/c24-19-9-8-17(11-18(19)23(25,26)27)30-22(32)16-7-4-10-31(13-16)21-12-20(28-14-29-21)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,16H,4,7,10,13H2,(H,30,32)
InChIKeyMSCUFRJAIIFCBX-UHFFFAOYSA-N
MW444.43 g/mol
LogP5.16
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90519241) has the molecular formula C23H20F4N4O and a molecular weight of 444.43 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID90519241
Molecular FormulaC23H20F4N4O
Molecular Weight444.43 g/mol
Exact Mass444.16
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C23H20F4N4O/c24-19-9-8-17(11-18(19)23(25,26)27)30-22(32)16-7-4-10-31(13-16)21-12-20(28-14-29-21)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,16H,4,7,10,13H2,(H,30,32)
InChIKeyMSCUFRJAIIFCBX-UHFFFAOYSA-N
XLogP5.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519239
N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519264
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070850
N-(2,4-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519285
N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519275
N-(4-chloro-3-nitrophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519386
N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168086
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519401
N-(5-chloro-2-methoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519286
1-(1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610037

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90519241) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is MSCUFRJAIIFCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O/c24-19-9-8-17(11-18(19)23(25,26)27)30-22(32)16-7-4-10-31(13-16)21-12-20(28-14-29-21)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,16H,4,7,10,13H2,(H,30,32).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90519241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).