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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Related Compounds

3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 10933991
3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 24881323
3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4(1H)-one
CID 24881386
5-Hydroxy-1-[2-(1-piperidinyl)ethyl]-2-(1-piperidinylmethyl)-4(1H)-pyridinone
CID 24881393
3-Hydroxy-6-methyl-2-[(4-morpholino-1-piperidyl)methyl]pyran-4-one
CID 71591067
3-hydroxy-1-methyl-2,6-bis(morpholinomethyl)pyridin-4(1H)-one
CID 71701660
3-hydroxy-1-methyl-6-(morpholinomethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4(1H)-one
CID 71708923
3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 71754436
3-Hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one
CID 126715396
3-Hydroxy-6-methyl-2-[[4-(1-piperidyl)-1-piperidyl]methyl]pyran-4-one
CID 71591066
3-Hydroxy-6-methyl-2-[[4-(1-methyl-4-piperidyl)piperazin-1-yl]methyl]pyran-4-one
CID 71591112
3-Hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one
CID 70802893

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).