5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one

C15H25N3O4 — CID 94960399

IUPAC5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
SMILESCN1CCN(Cc2cc(=O)c(O)cn2CCOCCO)CC1
InChIInChI=1S/C15H25N3O4/c1-16-2-4-17(5-3-16)11-13-10-14(20)15(21)12-18(13)6-8-22-9-7-19/h10,12,19,21H,2-9,11H2,1H3
InChIKeyFWSOIFAQSHRDTB-UHFFFAOYSA-N
MW311.38 g/mol
LogP-0.69
Rot. Bonds7

About 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one

5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one (PubChem CID 94960399) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
PubChem CID94960399
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
SMILESCN1CCN(Cc2cc(=O)c(O)cn2CCOCCO)CC1
InChIInChI=1S/C15H25N3O4/c1-16-2-4-17(5-3-16)11-13-10-14(20)15(21)12-18(13)6-8-22-9-7-19/h10,12,19,21H,2-9,11H2,1H3
InChIKeyFWSOIFAQSHRDTB-UHFFFAOYSA-N
XLogP-0.69
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
CID 82218661
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one
CID 94959809
1-(3-ethoxypropyl)-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218677
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82218906
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one
CID 94960570
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327
3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94959152
5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82218784

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one (CID 94960399) is 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one is CN1CCN(Cc2cc(=O)c(O)cn2CCOCCO)CC1.
What is the InChIKey of 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one?
The InChIKey is FWSOIFAQSHRDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-16-2-4-17(5-3-16)11-13-10-14(20)15(21)12-18(13)6-8-22-9-7-19/h10,12,19,21H,2-9,11H2,1H3.
What are the key properties of 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one?
5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one has a molecular weight of 311.38 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 94960399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).