2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C17H27N3O — CID 71096716

IUPAC2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCN1CCC(C)CC1)CCCC2
InChIInChI=1S/C17H27N3O/c1-13-6-10-19(11-7-13)12-8-15-14(2)18-16-5-3-4-9-20(16)17(15)21/h13H,3-12H2,1-2H3
InChIKeyYGTMMWSDFGDTAY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.16
Rot. Bonds3

About 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 71096716) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID71096716
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCN1CCC(C)CC1)CCCC2
InChIInChI=1S/C17H27N3O/c1-13-6-10-19(11-7-13)12-8-15-14(2)18-16-5-3-4-9-20(16)17(15)21/h13H,3-12H2,1-2H3
InChIKeyYGTMMWSDFGDTAY-UHFFFAOYSA-N
XLogP2.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 71096716) is 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1CCN1CCC(C)CC1)CCCC2.
What is the InChIKey of 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YGTMMWSDFGDTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-6-10-19(11-7-13)12-8-15-14(2)18-16-5-3-4-9-20(16)17(15)21/h13H,3-12H2,1-2H3.
What are the key properties of 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 289.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71096716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).