N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide

C15H21F3N4O — CID 84587460

IUPACN-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(C)c(C)c(N2CCCC(C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C15H21F3N4O/c1-9-10(2)20-11(3)21-13(9)22-6-4-5-12(7-22)14(23)19-8-15(16,17)18/h12H,4-8H2,1-3H3,(H,19,23)
InChIKeyCYQUNRGTTDJBGZ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.30
Rot. Bonds3

About N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide

N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 84587460) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID84587460
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(C)c(C)c(N2CCCC(C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C15H21F3N4O/c1-9-10(2)20-11(3)21-13(9)22-6-4-5-12(7-22)14(23)19-8-15(16,17)18/h12H,4-8H2,1-3H3,(H,19,23)
InChIKeyCYQUNRGTTDJBGZ-UHFFFAOYSA-N
XLogP2.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide (CID 84587460) is N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(C)c(C)c(N2CCCC(C(=O)NCC(F)(F)F)C2)n1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is CYQUNRGTTDJBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-9-10(2)20-11(3)21-13(9)22-6-4-5-12(7-22)14(23)19-8-15(16,17)18/h12H,4-8H2,1-3H3,(H,19,23).
What are the key properties of N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide?
N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 84587460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).