2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one

C17H28N2O4 — CID 82218421

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
SMILESCOCCN(CCOC)Cc1cc(=O)c(O)cn1C1CCCC1
InChIInChI=1S/C17H28N2O4/c1-22-9-7-18(8-10-23-2)12-15-11-16(20)17(21)13-19(15)14-5-3-4-6-14/h11,13-14,21H,3-10,12H2,1-2H3
InChIKeyIIHLHVOTYGPOLJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.76
Rot. Bonds9

About 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one

2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one (PubChem CID 82218421) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
PubChem CID82218421
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
SMILESCOCCN(CCOC)Cc1cc(=O)c(O)cn1C1CCCC1
InChIInChI=1S/C17H28N2O4/c1-22-9-7-18(8-10-23-2)12-15-11-16(20)17(21)13-19(15)14-5-3-4-6-14/h11,13-14,21H,3-10,12H2,1-2H3
InChIKeyIIHLHVOTYGPOLJ-UHFFFAOYSA-N
XLogP1.76
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one (CID 82218421) is 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one is COCCN(CCOC)Cc1cc(=O)c(O)cn1C1CCCC1.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one?
The InChIKey is IIHLHVOTYGPOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-22-9-7-18(8-10-23-2)12-15-11-16(20)17(21)13-19(15)14-5-3-4-6-14/h11,13-14,21H,3-10,12H2,1-2H3.
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one?
2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one has a molecular weight of 324.42 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one is sourced from PubChem (CID 82218421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).