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

C16H24N4O2 — CID 126940912

IUPAC5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCCNC3=O)CC2)c1=O
InChIInChI=1S/C16H24N4O2/c1-12-9-17-11-20(16(12)22)10-13-4-7-19(8-5-13)14-3-2-6-18-15(14)21/h9,11,13-14H,2-8,10H2,1H3,(H,18,21)
InChIKeyOKNOJCDYHGQQHP-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.54
Rot. Bonds3

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

5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940912) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940912
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCCNC3=O)CC2)c1=O
InChIInChI=1S/C16H24N4O2/c1-12-9-17-11-20(16(12)22)10-13-4-7-19(8-5-13)14-3-2-6-18-15(14)21/h9,11,13-14H,2-8,10H2,1H3,(H,18,21)
InChIKeyOKNOJCDYHGQQHP-UHFFFAOYSA-N
XLogP0.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.54
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-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940912) is 5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(C3CCCNC3=O)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is OKNOJCDYHGQQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-9-17-11-20(16(12)22)10-13-4-7-19(8-5-13)14-3-2-6-18-15(14)21/h9,11,13-14H,2-8,10H2,1H3,(H,18,21).
What are the key properties of 5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).