tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate

C15H24N4O3 — CID 162725081

IUPACtert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(c2cnc[nH]c2=O)C1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)18(4)11-6-5-7-19(9-11)12-8-16-10-17-13(12)20/h8,10-11H,5-7,9H2,1-4H3,(H,16,17,20)
InChIKeyYAQZGOIYDNJWAE-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.61
Rot. Bonds2

About tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate (PubChem CID 162725081) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate
PubChem CID162725081
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(c2cnc[nH]c2=O)C1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)18(4)11-6-5-7-19(9-11)12-8-16-10-17-13(12)20/h8,10-11H,5-7,9H2,1-4H3,(H,16,17,20)
InChIKeyYAQZGOIYDNJWAE-UHFFFAOYSA-N
XLogP1.61
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate (CID 162725081) is tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCCN(c2cnc[nH]c2=O)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate?
The InChIKey is YAQZGOIYDNJWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)18(4)11-6-5-7-19(9-11)12-8-16-10-17-13(12)20/h8,10-11H,5-7,9H2,1-4H3,(H,16,17,20).
What are the key properties of tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 162725081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).