7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C17H26N4O2 — CID 137058265

IUPAC7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)C(=O)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)15(23)21-10-7-12-13(11-21)18-16(19-14(12)22)20-8-5-4-6-9-20/h4-11H2,1-3H3,(H,18,19,22)
InChIKeyFGACYOYRYILDOX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.69
Rot. Bonds1

About 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137058265) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137058265
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)C(=O)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)15(23)21-10-7-12-13(11-21)18-16(19-14(12)22)20-8-5-4-6-9-20/h4-11H2,1-3H3,(H,18,19,22)
InChIKeyFGACYOYRYILDOX-UHFFFAOYSA-N
XLogP1.69
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137058265) is 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)(C)C(=O)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1.
What is the InChIKey of 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FGACYOYRYILDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)15(23)21-10-7-12-13(11-21)18-16(19-14(12)22)20-8-5-4-6-9-20/h4-11H2,1-3H3,(H,18,19,22).
What are the key properties of 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137058265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).