6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C19H28N4O2 — CID 126941729

IUPAC6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCC(CN2CCC(Cn3cnc(C4CC4)cc3=O)CC2)N1
InChIInChI=1S/C19H28N4O2/c24-18-3-1-2-16(21-18)12-22-8-6-14(7-9-22)11-23-13-20-17(10-19(23)25)15-4-5-15/h10,13-16H,1-9,11-12H2,(H,21,24)
InChIKeyGHGWMRKNBJMHKO-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.50
Rot. Bonds5

About 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941729) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941729
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCC(CN2CCC(Cn3cnc(C4CC4)cc3=O)CC2)N1
InChIInChI=1S/C19H28N4O2/c24-18-3-1-2-16(21-18)12-22-8-6-14(7-9-22)11-23-13-20-17(10-19(23)25)15-4-5-15/h10,13-16H,1-9,11-12H2,(H,21,24)
InChIKeyGHGWMRKNBJMHKO-UHFFFAOYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]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 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941729) is 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=C1CCCC(CN2CCC(Cn3cnc(C4CC4)cc3=O)CC2)N1.
What is the InChIKey of 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is GHGWMRKNBJMHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18-3-1-2-16(21-18)12-22-8-6-14(7-9-22)11-23-13-20-17(10-19(23)25)15-4-5-15/h10,13-16H,1-9,11-12H2,(H,21,24).
What are the key properties of 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 344.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).