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

C15H22N4O2 — CID 126940913

IUPAC5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCNC3=O)CC2)c1=O
InChIInChI=1S/C15H22N4O2/c1-11-8-16-10-19(15(11)21)9-12-3-6-18(7-4-12)13-2-5-17-14(13)20/h8,10,12-13H,2-7,9H2,1H3,(H,17,20)
InChIKeyOQLKELWMUHQTGC-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.15
Rot. Bonds3

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

5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940913) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940913
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCNC3=O)CC2)c1=O
InChIInChI=1S/C15H22N4O2/c1-11-8-16-10-19(15(11)21)9-12-3-6-18(7-4-12)13-2-5-17-14(13)20/h8,10,12-13H,2-7,9H2,1H3,(H,17,20)
InChIKeyOQLKELWMUHQTGC-UHFFFAOYSA-N
XLogP0.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940913) is 5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(C3CCNC3=O)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is OQLKELWMUHQTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-8-16-10-19(15(11)21)9-12-3-6-18(7-4-12)13-2-5-17-14(13)20/h8,10,12-13H,2-7,9H2,1H3,(H,17,20).
What are the key properties of 5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 0.15, 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-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).