(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C17H17F3N4O — CID 40599471

IUPAC(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)13-6-1-2-7-14(13)23-15(25)12-5-3-10-24(11-12)16-21-8-4-9-22-16/h1-2,4,6-9,12H,3,5,10-11H2,(H,23,25)/t12-/m1/s1
InChIKeyRFUOMFRLEYLEIM-GFCCVEGCSA-N
MW350.34 g/mol
LogP3.35
Rot. Bonds3

About (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 40599471) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID40599471
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)13-6-1-2-7-14(13)23-15(25)12-5-3-10-24(11-12)16-21-8-4-9-22-16/h1-2,4,6-9,12H,3,5,10-11H2,(H,23,25)/t12-/m1/s1
InChIKeyRFUOMFRLEYLEIM-GFCCVEGCSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52507745
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90600677
(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 51955026
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92866163
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412

Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 40599471) is (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is RFUOMFRLEYLEIM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)13-6-1-2-7-14(13)23-15(25)12-5-3-10-24(11-12)16-21-8-4-9-22-16/h1-2,4,6-9,12H,3,5,10-11H2,(H,23,25)/t12-/m1/s1.
What are the key properties of (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 40599471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).