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

C19H21F3N4O2 — CID 121017939

IUPAC4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(C)n1
InChIInChI=1S/C19H21F3N4O2/c1-12-10-17(24-13(2)23-12)28-16-6-8-26(9-7-16)18(27)25-15-5-3-4-14(11-15)19(20,21)22/h3-5,10-11,16H,6-9H2,1-2H3,(H,25,27)
InChIKeyYDJVHGDJYOBWGI-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.19
Rot. Bonds3

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

4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 121017939) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID121017939
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(C)n1
InChIInChI=1S/C19H21F3N4O2/c1-12-10-17(24-13(2)23-12)28-16-6-8-26(9-7-16)18(27)25-15-5-3-4-14(11-15)19(20,21)22/h3-5,10-11,16H,6-9H2,1-2H3,(H,25,27)
InChIKeyYDJVHGDJYOBWGI-UHFFFAOYSA-N
XLogP4.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121161053
N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161054
N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161062
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N-(3-chlorophenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798778
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
(4-tert-butylphenyl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160794
4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 50944722
methyl 2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121160877

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 121017939) is 4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cc1cc(OC2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(C)n1.
What is the InChIKey of 4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is YDJVHGDJYOBWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-12-10-17(24-13(2)23-12)28-16-6-8-26(9-7-16)18(27)25-15-5-3-4-14(11-15)19(20,21)22/h3-5,10-11,16H,6-9H2,1-2H3,(H,25,27).
What are the key properties of 4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 121017939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).