3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

C17H27N3O3 — CID 71704074

IUPAC3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C17H27N3O3/c1-18-14(12-20-7-9-23-10-8-20)11-16(21)17(22)15(18)13-19-5-3-2-4-6-19/h11,22H,2-10,12-13H2,1H3
InChIKeyBRKQRNRAPAGTGB-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.91
Rot. Bonds4

About 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 71704074) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID71704074
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C17H27N3O3/c1-18-14(12-20-7-9-23-10-8-20)11-16(21)17(22)15(18)13-19-5-3-2-4-6-19/h11,22H,2-10,12-13H2,1H3
InChIKeyBRKQRNRAPAGTGB-UHFFFAOYSA-N
XLogP0.91
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 71704074) is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCCCC1.
What is the InChIKey of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is BRKQRNRAPAGTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-18-14(12-20-7-9-23-10-8-20)11-16(21)17(22)15(18)13-19-5-3-2-4-6-19/h11,22H,2-10,12-13H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 321.42 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 71704074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).