5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one

C13H20N2O3 — CID 119919270

IUPAC5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one
SMILESCNC1CCCN(Cc2cc(=O)c(OC)co2)C1
InChIInChI=1S/C13H20N2O3/c1-14-10-4-3-5-15(7-10)8-11-6-12(16)13(17-2)9-18-11/h6,9-10,14H,3-5,7-8H2,1-2H3
InChIKeyUVFSYRUJZCDZCM-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.83
Rot. Bonds4

About 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one

5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one (PubChem CID 119919270) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one
PubChem CID119919270
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one
SMILESCNC1CCCN(Cc2cc(=O)c(OC)co2)C1
InChIInChI=1S/C13H20N2O3/c1-14-10-4-3-5-15(7-10)8-11-6-12(16)13(17-2)9-18-11/h6,9-10,14H,3-5,7-8H2,1-2H3
InChIKeyUVFSYRUJZCDZCM-UHFFFAOYSA-N
XLogP0.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one
CID 57629430
4-[(5-Methoxy-4-oxopyran-2-yl)methylamino]piperidine-1-carboxylic acid
CID 87452935
(5-Methoxy-4-oxopyran-2-yl)methyl-piperidin-4-ylcarbamic acid
CID 91557481
5-Hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one bromide
CID 162336449
4-Oxo-6-(piperazin-1-ium-1-ylmethyl)pyran-3-olate
CID 33679501
5-methoxy-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 42281627
2-[(4-Aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
CID 43556537
5-Hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one
CID 43607675
5-methoxy-2-[(piperazin-1-yl)methyl]-4H-pyran-4-one
CID 45496557
ethyl 4-(5-methoxy-4-oxo-4H-pyran-2-carboxamido)piperidine-1-carboxylate
CID 45537832
5-Hydroxy-2-[(3-piperidin-1-ylpropylamino)methyl]pyran-4-one
CID 49788915
2-[[Ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one
CID 54923446

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one (CID 119919270) is 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one is CNC1CCCN(Cc2cc(=O)c(OC)co2)C1.
What is the InChIKey of 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one?
The InChIKey is UVFSYRUJZCDZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14-10-4-3-5-15(7-10)8-11-6-12(16)13(17-2)9-18-11/h6,9-10,14H,3-5,7-8H2,1-2H3.
What are the key properties of 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one?
5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one has a molecular weight of 252.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 119919270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).