N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

C15H17F3N6O2 — CID 154738745

IUPACN-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)nc1
InChIInChI=1S/C15H17F3N6O2/c1-26-10-5-20-13(21-6-10)23-14(25)24-4-2-3-9(8-24)12-19-7-11(22-12)15(16,17)18/h5-7,9H,2-4,8H2,1H3,(H,19,22)(H,20,21,23,25)
InChIKeyYJMLMPALUSTBSM-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.64
Rot. Bonds3

About N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide (PubChem CID 154738745) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
PubChem CID154738745
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC NameN-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)nc1
InChIInChI=1S/C15H17F3N6O2/c1-26-10-5-20-13(21-6-10)23-14(25)24-4-2-3-9(8-24)12-19-7-11(22-12)15(16,17)18/h5-7,9H,2-4,8H2,1H3,(H,19,22)(H,20,21,23,25)
InChIKeyYJMLMPALUSTBSM-UHFFFAOYSA-N
XLogP2.64
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]but-2-yn-1-one
CID 125142252
2-methyl-3-oxo-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propanoic acid
CID 122066237
(5-methoxy-1-methylpyrazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 154739023
(4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128963906
(2,3-difluorophenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996049
1,2-oxazol-3-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996053
1,2-oxazol-3-yl-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479672
1,2-oxazol-3-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479671
(3-methyl-2-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479723
(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479438
(2-fluoro-4-methylphenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128995235
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 129479687

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide (CID 154738745) is N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide is COc1cnc(NC(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)nc1.
What is the InChIKey of N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide?
The InChIKey is YJMLMPALUSTBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-26-10-5-20-13(21-6-10)23-14(25)24-4-2-3-9(8-24)12-19-7-11(22-12)15(16,17)18/h5-7,9H,2-4,8H2,1H3,(H,19,22)(H,20,21,23,25).
What are the key properties of N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide?
N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide has a molecular weight of 370.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypyrimidin-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 154738745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).