1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C19H21F3N4O — CID 655169

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C19H21F3N4O/c1-12-10-13(2)24-18(23-12)26-8-6-14(7-9-26)17(27)25-16-5-3-4-15(11-16)19(20,21)22/h3-5,10-11,14H,6-9H2,1-2H3,(H,25,27)
InChIKeyDYWFUMXKJLQOIC-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.97
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 655169) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID655169
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C19H21F3N4O/c1-12-10-13(2)24-18(23-12)26-8-6-14(7-9-26)17(27)25-16-5-3-4-15(11-16)19(20,21)22/h3-5,10-11,14H,6-9H2,1-2H3,(H,25,27)
InChIKeyDYWFUMXKJLQOIC-UHFFFAOYSA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 655169) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is DYWFUMXKJLQOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-12-10-13(2)24-18(23-12)26-8-6-14(7-9-26)17(27)25-16-5-3-4-15(11-16)19(20,21)22/h3-5,10-11,14H,6-9H2,1-2H3,(H,25,27).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 655169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).