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

C17H26N4O2 — CID 126940911

IUPAC5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCCN(C)C3=O)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-13-10-18-12-21(16(13)22)11-14-5-8-20(9-6-14)15-4-3-7-19(2)17(15)23/h10,12,14-15H,3-9,11H2,1-2H3
InChIKeyJXJNKGVVDKKGMY-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.88
Rot. Bonds3

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

5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940911) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940911
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCCN(C)C3=O)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-13-10-18-12-21(16(13)22)11-14-5-8-20(9-6-14)15-4-3-7-19(2)17(15)23/h10,12,14-15H,3-9,11H2,1-2H3
InChIKeyJXJNKGVVDKKGMY-UHFFFAOYSA-N
XLogP0.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.88
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-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940911) is 5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(C3CCCN(C)C3=O)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is JXJNKGVVDKKGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-10-18-12-21(16(13)22)11-14-5-8-20(9-6-14)15-4-3-7-19(2)17(15)23/h10,12,14-15H,3-9,11H2,1-2H3.
What are the key properties of 5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(1-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.88, 3 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-methyl-2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).