5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one

C15H23N3O3 — CID 91834858

IUPAC5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN(C)CCN2CCCCC2=O)cc1=O
InChIInChI=1S/C15H23N3O3/c1-17(7-8-18-6-4-3-5-15(18)20)11-12-9-13(19)14(21-2)10-16-12/h9-10H,3-8,11H2,1-2H3,(H,16,19)
InChIKeyRASPIZXDUFROQP-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.83
Rot. Bonds6

About 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one

5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one (PubChem CID 91834858) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
PubChem CID91834858
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN(C)CCN2CCCCC2=O)cc1=O
InChIInChI=1S/C15H23N3O3/c1-17(7-8-18-6-4-3-5-15(18)20)11-12-9-13(19)14(21-2)10-16-12/h9-10H,3-8,11H2,1-2H3,(H,16,19)
InChIKeyRASPIZXDUFROQP-UHFFFAOYSA-N
XLogP0.83
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one (CID 91834858) is 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one is COc1c[nH]c(CN(C)CCN2CCCCC2=O)cc1=O.
What is the InChIKey of 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one?
The InChIKey is RASPIZXDUFROQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17(7-8-18-6-4-3-5-15(18)20)11-12-9-13(19)14(21-2)10-16-12/h9-10H,3-8,11H2,1-2H3,(H,16,19).
What are the key properties of 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one?
5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one has a molecular weight of 293.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 91834858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).