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

C18H28N4O2 — CID 136795637

IUPAC2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCc2nc(C3CCCN(C(=O)C(C)(C)C)C3)[nH]c(=O)c2C1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)17(24)22-8-5-6-12(10-22)15-19-14-7-9-21(4)11-13(14)16(23)20-15/h12H,5-11H2,1-4H3,(H,19,20,23)
InChIKeyPXNNRNMFDVPTSM-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.51
Rot. Bonds1

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

2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136795637) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136795637
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCc2nc(C3CCCN(C(=O)C(C)(C)C)C3)[nH]c(=O)c2C1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)17(24)22-8-5-6-12(10-22)15-19-14-7-9-21(4)11-13(14)16(23)20-15/h12H,5-11H2,1-4H3,(H,19,20,23)
InChIKeyPXNNRNMFDVPTSM-UHFFFAOYSA-N
XLogP1.51
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136795637) is 2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CN1CCc2nc(C3CCCN(C(=O)C(C)(C)C)C3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PXNNRNMFDVPTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,3)17(24)22-8-5-6-12(10-22)15-19-14-7-9-21(4)11-13(14)16(23)20-15/h12H,5-11H2,1-4H3,(H,19,20,23).
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136795637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).