7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione

C18H24N4O4 — CID 92630859

IUPAC7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(C)=O)CC3)nc21
InChIInChI=1S/C18H24N4O4/c1-12(23)21-8-6-13(7-9-21)15-5-4-14-16(19-15)22(10-11-26-3)18(25)20(2)17(14)24/h4-5,13H,6-11H2,1-3H3
InChIKeyQLXKLLSTRDIIFY-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.47
Rot. Bonds4

About 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione

7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 92630859) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID92630859
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(C)=O)CC3)nc21
InChIInChI=1S/C18H24N4O4/c1-12(23)21-8-6-13(7-9-21)15-5-4-14-16(19-15)22(10-11-26-3)18(25)20(2)17(14)24/h4-5,13H,6-11H2,1-3H3
InChIKeyQLXKLLSTRDIIFY-UHFFFAOYSA-N
XLogP0.47
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 92630859) is 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(C)=O)CC3)nc21.
What is the InChIKey of 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QLXKLLSTRDIIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12(23)21-8-6-13(7-9-21)15-5-4-14-16(19-15)22(10-11-26-3)18(25)20(2)17(14)24/h4-5,13H,6-11H2,1-3H3.
What are the key properties of 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-acetylpiperidin-4-yl)-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 92630859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).