5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C17H26N4O2 — CID 126940795

IUPAC5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC3CCCC(=O)N3)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-13-9-18-12-21(17(13)23)10-14-5-7-20(8-6-14)11-15-3-2-4-16(22)19-15/h9,12,14-15H,2-8,10-11H2,1H3,(H,19,22)
InChIKeyJLDFOZCHPAUJGG-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.93
Rot. Bonds4

About 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940795) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940795
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC3CCCC(=O)N3)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-13-9-18-12-21(17(13)23)10-14-5-7-20(8-6-14)11-15-3-2-4-16(22)19-15/h9,12,14-15H,2-8,10-11H2,1H3,(H,19,22)
InChIKeyJLDFOZCHPAUJGG-UHFFFAOYSA-N
XLogP0.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940795) is 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(CC3CCCC(=O)N3)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is JLDFOZCHPAUJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-9-18-12-21(17(13)23)10-14-5-7-20(8-6-14)11-15-3-2-4-16(22)19-15/h9,12,14-15H,2-8,10-11H2,1H3,(H,19,22).
What are the key properties of 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).