1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C17H23F3N4O2 — CID 91809782

IUPAC1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCC3CCCO3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H23F3N4O2/c1-11-22-14(17(18,19)20)9-15(23-11)24-6-4-12(5-7-24)16(25)21-10-13-3-2-8-26-13/h9,12-13H,2-8,10H2,1H3,(H,21,25)
InChIKeyNWKCSJMJCDGQLS-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 91809782) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID91809782
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCC3CCCO3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H23F3N4O2/c1-11-22-14(17(18,19)20)9-15(23-11)24-6-4-12(5-7-24)16(25)21-10-13-3-2-8-26-13/h9,12-13H,2-8,10H2,1H3,(H,21,25)
InChIKeyNWKCSJMJCDGQLS-UHFFFAOYSA-N
XLogP2.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 91809782) is 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)NCC3CCCO3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NWKCSJMJCDGQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-11-22-14(17(18,19)20)9-15(23-11)24-6-4-12(5-7-24)16(25)21-10-13-3-2-8-26-13/h9,12-13H,2-8,10H2,1H3,(H,21,25).
What are the key properties of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91809782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).