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

C18H30N4O — CID 126940723

IUPAC5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC3CCCCN3C)CC2)c1=O
InChIInChI=1S/C18H30N4O/c1-15-11-19-14-22(18(15)23)12-16-6-9-21(10-7-16)13-17-5-3-4-8-20(17)2/h11,14,16-17H,3-10,12-13H2,1-2H3
InChIKeyYJSYSPSVGSUGIB-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.75
Rot. Bonds4

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

5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940723) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940723
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC3CCCCN3C)CC2)c1=O
InChIInChI=1S/C18H30N4O/c1-15-11-19-14-22(18(15)23)12-16-6-9-21(10-7-16)13-17-5-3-4-8-20(17)2/h11,14,16-17H,3-10,12-13H2,1-2H3
InChIKeyYJSYSPSVGSUGIB-UHFFFAOYSA-N
XLogP1.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940723) is 5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(CC3CCCCN3C)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is YJSYSPSVGSUGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15-11-19-14-22(18(15)23)12-16-6-9-21(10-7-16)13-17-5-3-4-8-20(17)2/h11,14,16-17H,3-10,12-13H2,1-2H3.
What are the key properties of 5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).