4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one

C19H28N4O4 — CID 136797291

IUPAC4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCOCC(=O)N1CCC(c2nc(C3CCCN(C(C)=O)C3)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H28N4O4/c1-13(24)23-7-3-4-15(11-23)16-10-17(25)21-19(20-16)14-5-8-22(9-6-14)18(26)12-27-2/h10,14-15H,3-9,11-12H2,1-2H3,(H,20,21,25)
InChIKeyAQKAVCUPHUNKPZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.85
Rot. Bonds4

About 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one

4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136797291) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136797291
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCOCC(=O)N1CCC(c2nc(C3CCCN(C(C)=O)C3)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H28N4O4/c1-13(24)23-7-3-4-15(11-23)16-10-17(25)21-19(20-16)14-5-8-22(9-6-14)18(26)12-27-2/h10,14-15H,3-9,11-12H2,1-2H3,(H,20,21,25)
InChIKeyAQKAVCUPHUNKPZ-UHFFFAOYSA-N
XLogP0.85
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-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 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one (CID 136797291) is 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one is COCC(=O)N1CCC(c2nc(C3CCCN(C(C)=O)C3)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is AQKAVCUPHUNKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-13(24)23-7-3-4-15(11-23)16-10-17(25)21-19(20-16)14-5-8-22(9-6-14)18(26)12-27-2/h10,14-15H,3-9,11-12H2,1-2H3,(H,20,21,25).
What are the key properties of 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one?
4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 376.46 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-3-yl)-2-[1-(2-methoxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136797291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).