tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate

C15H24N4O3 — CID 66569673

IUPACtert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCOc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)18-11-5-7-19(8-6-11)12-9-13(21-4)17-10-16-12/h9-11H,5-8H2,1-4H3,(H,18,20)
InChIKeyZAPIKYKXTKRWJD-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.98
Rot. Bonds3

About tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 66569673) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
PubChem CID66569673
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCOc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)18-11-5-7-19(8-6-11)12-9-13(21-4)17-10-16-12/h9-11H,5-8H2,1-4H3,(H,18,20)
InChIKeyZAPIKYKXTKRWJD-UHFFFAOYSA-N
XLogP1.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate (CID 66569673) is tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate is COc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1.
What is the InChIKey of tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is ZAPIKYKXTKRWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)18-11-5-7-19(8-6-11)12-9-13(21-4)17-10-16-12/h9-11H,5-8H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 66569673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).