6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one

C16H24N4O3 — CID 126940907

IUPAC6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one
SMILESCc1cncn(CC2CCN(CC3CNC(=O)CO3)CC2)c1=O
InChIInChI=1S/C16H24N4O3/c1-12-6-17-11-20(16(12)22)8-13-2-4-19(5-3-13)9-14-7-18-15(21)10-23-14/h6,11,13-14H,2-5,7-10H2,1H3,(H,18,21)
InChIKeyFLLBQZPEQUKQPK-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.22
Rot. Bonds4

About 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one

6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one (PubChem CID 126940907) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one
PubChem CID126940907
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one
SMILESCc1cncn(CC2CCN(CC3CNC(=O)CO3)CC2)c1=O
InChIInChI=1S/C16H24N4O3/c1-12-6-17-11-20(16(12)22)8-13-2-4-19(5-3-13)9-14-7-18-15(21)10-23-14/h6,11,13-14H,2-5,7-10H2,1H3,(H,18,21)
InChIKeyFLLBQZPEQUKQPK-UHFFFAOYSA-N
XLogP-0.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one?
The IUPAC name of 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one (CID 126940907) is 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one.
What is the SMILES notation for 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one?
The canonical SMILES for 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one is Cc1cncn(CC2CCN(CC3CNC(=O)CO3)CC2)c1=O.
What is the InChIKey of 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one?
The InChIKey is FLLBQZPEQUKQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-6-17-11-20(16(12)22)8-13-2-4-19(5-3-13)9-14-7-18-15(21)10-23-14/h6,11,13-14H,2-5,7-10H2,1H3,(H,18,21).
What are the key properties of 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one?
6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one has a molecular weight of 320.39 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one is sourced from PubChem (CID 126940907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).