3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one

C24H34N4O4 — CID 71701467

IUPAC3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C24H34N4O4/c1-25-20(18-28-11-14-31-15-12-28)17-23(29)24(30)22(25)19-27-9-7-26(8-10-27)13-16-32-21-5-3-2-4-6-21/h2-6,17,30H,7-16,18-19H2,1H3
InChIKeyNXIZSZUUCIGMSK-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.12
Rot. Bonds8

About 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one

3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one (PubChem CID 71701467) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one
PubChem CID71701467
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C24H34N4O4/c1-25-20(18-28-11-14-31-15-12-28)17-23(29)24(30)22(25)19-27-9-7-26(8-10-27)13-16-32-21-5-3-2-4-6-21/h2-6,17,30H,7-16,18-19H2,1H3
InChIKeyNXIZSZUUCIGMSK-UHFFFAOYSA-N
XLogP1.12
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one (CID 71701467) is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one is Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
The InChIKey is NXIZSZUUCIGMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-25-20(18-28-11-14-31-15-12-28)17-23(29)24(30)22(25)19-27-9-7-26(8-10-27)13-16-32-21-5-3-2-4-6-21/h2-6,17,30H,7-16,18-19H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one has a molecular weight of 442.56 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one is sourced from PubChem (CID 71701467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).