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

C13H20N4O3 — CID 136662613

IUPACethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)15-10-4-6-17(7-5-10)12-14-9(2)8-11(18)16-12/h8,10H,3-7H2,1-2H3,(H,15,19)(H,14,16,18)
InChIKeyFAPFJWOWLYGFRJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.79
Rot. Bonds3

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

ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate (PubChem CID 136662613) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate
PubChem CID136662613
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)15-10-4-6-17(7-5-10)12-14-9(2)8-11(18)16-12/h8,10H,3-7H2,1-2H3,(H,15,19)(H,14,16,18)
InChIKeyFAPFJWOWLYGFRJ-UHFFFAOYSA-N
XLogP0.79
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate (CID 136662613) is ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(c2nc(C)cc(=O)[nH]2)CC1.
What is the InChIKey of ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate?
The InChIKey is FAPFJWOWLYGFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-20-13(19)15-10-4-6-17(7-5-10)12-14-9(2)8-11(18)16-12/h8,10H,3-7H2,1-2H3,(H,15,19)(H,14,16,18).
What are the key properties of ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate?
ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate has a molecular weight of 280.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 136662613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).