3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one

C15H18N4O3 — CID 121021733

IUPAC3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOCC(=O)N1CCC(n2cnc3ncccc3c2=O)CC1
InChIInChI=1S/C15H18N4O3/c1-22-9-13(20)18-7-4-11(5-8-18)19-10-17-14-12(15(19)21)3-2-6-16-14/h2-3,6,10-11H,4-5,7-9H2,1H3
InChIKeyZWLVBEVHBVARAR-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.60
Rot. Bonds3

About 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one

3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 121021733) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID121021733
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOCC(=O)N1CCC(n2cnc3ncccc3c2=O)CC1
InChIInChI=1S/C15H18N4O3/c1-22-9-13(20)18-7-4-11(5-8-18)19-10-17-14-12(15(19)21)3-2-6-16-14/h2-3,6,10-11H,4-5,7-9H2,1H3
InChIKeyZWLVBEVHBVARAR-UHFFFAOYSA-N
XLogP0.60
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one (CID 121021733) is 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one is COCC(=O)N1CCC(n2cnc3ncccc3c2=O)CC1.
What is the InChIKey of 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZWLVBEVHBVARAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-22-9-13(20)18-7-4-11(5-8-18)19-10-17-14-12(15(19)21)3-2-6-16-14/h2-3,6,10-11H,4-5,7-9H2,1H3.
What are the key properties of 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 302.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 121021733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).