tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate

C17H28N4O3 — CID 66569666

IUPACtert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCCOc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C17H28N4O3/c1-6-23-15-11-14(18-12-19-15)21-9-7-13(8-10-21)20(5)16(22)24-17(2,3)4/h11-13H,6-10H2,1-5H3
InChIKeyGUGYEMMIFOQMPY-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 66569666) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
PubChem CID66569666
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Nametert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCCOc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C17H28N4O3/c1-6-23-15-11-14(18-12-19-15)21-9-7-13(8-10-21)20(5)16(22)24-17(2,3)4/h11-13H,6-10H2,1-5H3
InChIKeyGUGYEMMIFOQMPY-UHFFFAOYSA-N
XLogP2.71
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate (CID 66569666) is tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate is CCOc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ncn1.
What is the InChIKey of tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is GUGYEMMIFOQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-6-23-15-11-14(18-12-19-15)21-9-7-13(8-10-21)20(5)16(22)24-17(2,3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 336.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 66569666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).