ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate

C14H19F3N4O2 — CID 91631438

IUPACethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C14H19F3N4O2/c1-3-23-13(22)20-10-4-6-21(7-5-10)12-8-11(14(15,16)17)18-9(2)19-12/h8,10H,3-7H2,1-2H3,(H,20,22)
InChIKeyNCTRFVNRKQQNOO-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.52
Rot. Bonds3

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

ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate (PubChem CID 91631438) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate
PubChem CID91631438
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Nameethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C14H19F3N4O2/c1-3-23-13(22)20-10-4-6-21(7-5-10)12-8-11(14(15,16)17)18-9(2)19-12/h8,10H,3-7H2,1-2H3,(H,20,22)
InChIKeyNCTRFVNRKQQNOO-UHFFFAOYSA-N
XLogP2.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate (CID 91631438) is ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1.
What is the InChIKey of ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate?
The InChIKey is NCTRFVNRKQQNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-3-23-13(22)20-10-4-6-21(7-5-10)12-8-11(14(15,16)17)18-9(2)19-12/h8,10H,3-7H2,1-2H3,(H,20,22).
What are the key properties of ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate?
ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate has a molecular weight of 332.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 91631438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).