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

C15H22N4O2 — CID 126944991

IUPAC3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CC(CN2CCC(Cn3cnccc3=O)CC2)CN1
InChIInChI=1S/C15H22N4O2/c20-14-7-13(8-17-14)9-18-5-2-12(3-6-18)10-19-11-16-4-1-15(19)21/h1,4,11-13H,2-3,5-10H2,(H,17,20)
InChIKeyJRTMXGSQSPZLMU-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.09
Rot. Bonds4

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

3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944991) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944991
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CC(CN2CCC(Cn3cnccc3=O)CC2)CN1
InChIInChI=1S/C15H22N4O2/c20-14-7-13(8-17-14)9-18-5-2-12(3-6-18)10-19-11-16-4-1-15(19)21/h1,4,11-13H,2-3,5-10H2,(H,17,20)
InChIKeyJRTMXGSQSPZLMU-UHFFFAOYSA-N
XLogP0.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944991) is 3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=C1CC(CN2CCC(Cn3cnccc3=O)CC2)CN1.
What is the InChIKey of 3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is JRTMXGSQSPZLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14-7-13(8-17-14)9-18-5-2-12(3-6-18)10-19-11-16-4-1-15(19)21/h1,4,11-13H,2-3,5-10H2,(H,17,20).
What are the key properties of 3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).