(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide

C17H21F3N6O2 — CID 126431813

IUPAC(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)N2CCCC[C@@H]2c2nc(C)no2)n1
InChIInChI=1S/C17H21F3N6O2/c1-10-9-13(17(18,19)20)24-14(22-10)6-7-21-16(27)26-8-4-3-5-12(26)15-23-11(2)25-28-15/h9,12H,3-8H2,1-2H3,(H,21,27)/t12-/m1/s1
InChIKeyYXTCGHQIARNWDP-GFCCVEGCSA-N
MW398.39 g/mol
LogP2.97
Rot. Bonds4

About (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide

(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide (PubChem CID 126431813) has the molecular formula C17H21F3N6O2 and a molecular weight of 398.39 g/mol. Its IUPAC name is (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide
PubChem CID126431813
Molecular FormulaC17H21F3N6O2
Molecular Weight398.39 g/mol
Exact Mass398.17
IUPAC Name(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)N2CCCC[C@@H]2c2nc(C)no2)n1
InChIInChI=1S/C17H21F3N6O2/c1-10-9-13(17(18,19)20)24-14(22-10)6-7-21-16(27)26-8-4-3-5-12(26)15-23-11(2)25-28-15/h9,12H,3-8H2,1-2H3,(H,21,27)/t12-/m1/s1
InChIKeyYXTCGHQIARNWDP-GFCCVEGCSA-N
XLogP2.97
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56918316
3-(1-methyl-2-piperidinyl)-N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}propanamide
CID 72936838
5-[1-[4-(4-Ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75455387
2-(1-cyclopentyl-3-oxo-2-piperazinyl)-N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}acetamide
CID 45239123
2-methyl-2-[3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-1-piperazin-1-ylpropan-1-one
CID 165395301
2,2-difluoro-2-[3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-1-piperazin-1-ylethanone
CID 165395304
3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 165395327
2-[3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-1-piperazin-1-ylethanone
CID 165395330
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 42301136
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 42301150
Methyl 2-[({2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}amino)carbonyl]piperidine-1-carboxylate
CID 91768302
(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95730179

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide (CID 126431813) is (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)N2CCCC[C@@H]2c2nc(C)no2)n1.
What is the InChIKey of (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is YXTCGHQIARNWDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21F3N6O2/c1-10-9-13(17(18,19)20)24-14(22-10)6-7-21-16(27)26-8-4-3-5-12(26)15-23-11(2)25-28-15/h9,12H,3-8H2,1-2H3,(H,21,27)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide?
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 126431813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).