(2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide

C20H23F3N4O2 — CID 99754105

IUPAC(2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide
SMILESCc1nc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H23F3N4O2/c1-13(29-16-6-4-3-5-7-16)19(28)26-15-8-10-27(11-9-15)18-12-17(20(21,22)23)24-14(2)25-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,26,28)/t13-/m1/s1
InChIKeyQGCZMPGBKXLLAH-CYBMUJFWSA-N
MW408.42 g/mol
LogP3.36
Rot. Bonds5

About (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide

(2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide (PubChem CID 99754105) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide
PubChem CID99754105
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name(2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide
SMILESCc1nc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H23F3N4O2/c1-13(29-16-6-4-3-5-7-16)19(28)26-15-8-10-27(11-9-15)18-12-17(20(21,22)23)24-14(2)25-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,26,28)/t13-/m1/s1
InChIKeyQGCZMPGBKXLLAH-CYBMUJFWSA-N
XLogP3.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 91631639
(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
CID 100743768
(2R)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
CID 100743783
N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 91631454
4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809824
5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
CID 91631451
3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 91631465
2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91892415
(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide
CID 91809810
N-(4-methylcyclohexyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892478
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 91631444
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 99758851

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide (CID 99754105) is (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide is Cc1nc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide?
The InChIKey is QGCZMPGBKXLLAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-13(29-16-6-4-3-5-7-16)19(28)26-15-8-10-27(11-9-15)18-12-17(20(21,22)23)24-14(2)25-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,26,28)/t13-/m1/s1.
What are the key properties of (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide?
(2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide has a molecular weight of 408.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide is sourced from PubChem (CID 99754105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).