2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C13H20N4O — CID 135621818

IUPAC2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(c(=O)[nH]2)CCNC3)CC1
InChIInChI=1S/C13H20N4O/c1-9-3-6-17(7-4-9)13-15-11-8-14-5-2-10(11)12(18)16-13/h9,14H,2-8H2,1H3,(H,15,16,18)
InChIKeyVFTFYLBCSSHDFF-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.65
Rot. Bonds1

About 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 135621818) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID135621818
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(c(=O)[nH]2)CCNC3)CC1
InChIInChI=1S/C13H20N4O/c1-9-3-6-17(7-4-9)13-15-11-8-14-5-2-10(11)12(18)16-13/h9,14H,2-8H2,1H3,(H,15,16,18)
InChIKeyVFTFYLBCSSHDFF-UHFFFAOYSA-N
XLogP0.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 135621818) is 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is CC1CCN(c2nc3c(c(=O)[nH]2)CCNC3)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VFTFYLBCSSHDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-3-6-17(7-4-9)13-15-11-8-14-5-2-10(11)12(18)16-13/h9,14H,2-8H2,1H3,(H,15,16,18).
What are the key properties of 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135621818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).