5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one

C17H26N2O4 — CID 70735930

IUPAC5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one
SMILESCOc1coc(CN2CCCCC2CN2CCOCC2)cc1=O
InChIInChI=1S/C17H26N2O4/c1-21-17-13-23-15(10-16(17)20)12-19-5-3-2-4-14(19)11-18-6-8-22-9-7-18/h10,13-14H,2-9,11-12H2,1H3
InChIKeyPFCCEICMMUUOHO-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.34
Rot. Bonds5

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

5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one (PubChem CID 70735930) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one
PubChem CID70735930
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one
SMILESCOc1coc(CN2CCCCC2CN2CCOCC2)cc1=O
InChIInChI=1S/C17H26N2O4/c1-21-17-13-23-15(10-16(17)20)12-19-5-3-2-4-14(19)11-18-6-8-22-9-7-18/h10,13-14H,2-9,11-12H2,1H3
InChIKeyPFCCEICMMUUOHO-UHFFFAOYSA-N
XLogP1.34
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one (CID 70735930) is 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one is COc1coc(CN2CCCCC2CN2CCOCC2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one?
The InChIKey is PFCCEICMMUUOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-21-17-13-23-15(10-16(17)20)12-19-5-3-2-4-14(19)11-18-6-8-22-9-7-18/h10,13-14H,2-9,11-12H2,1H3.
What are the key properties of 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one?
5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one has a molecular weight of 322.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 70735930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).