3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C19H28N4O3 — CID 126942046

IUPAC3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)C3CCC(=O)NC3)CC2)cn1
InChIInChI=1S/C19H28N4O3/c1-13(2)16-9-18(25)23(12-21-16)11-14-5-7-22(8-6-14)19(26)15-3-4-17(24)20-10-15/h9,12-15H,3-8,10-11H2,1-2H3,(H,20,24)
InChIKeyIQJIIKYNPNCSHN-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.13
Rot. Bonds4

About 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942046) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942046
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)C3CCC(=O)NC3)CC2)cn1
InChIInChI=1S/C19H28N4O3/c1-13(2)16-9-18(25)23(12-21-16)11-14-5-7-22(8-6-14)19(26)15-3-4-17(24)20-10-15/h9,12-15H,3-8,10-11H2,1-2H3,(H,20,24)
InChIKeyIQJIIKYNPNCSHN-UHFFFAOYSA-N
XLogP1.13
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-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 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942046) is 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(C(=O)C3CCC(=O)NC3)CC2)cn1.
What is the InChIKey of 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is IQJIIKYNPNCSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)16-9-18(25)23(12-21-16)11-14-5-7-22(8-6-14)19(26)15-3-4-17(24)20-10-15/h9,12-15H,3-8,10-11H2,1-2H3,(H,20,24).
What are the key properties of 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 360.46 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).