5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one

C16H27N3O4 — CID 82218784

IUPAC5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
SMILESCCC(CO)n1cc(O)c(=O)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C16H27N3O4/c1-2-13(12-21)19-11-16(23)15(22)9-14(19)10-18-5-3-17(4-6-18)7-8-20/h9,11,13,20-21,23H,2-8,10,12H2,1H3
InChIKeyPYPAXJJGSRMSMT-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.39
Rot. Bonds7

About 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one

5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one (PubChem CID 82218784) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
PubChem CID82218784
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
SMILESCCC(CO)n1cc(O)c(=O)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C16H27N3O4/c1-2-13(12-21)19-11-16(23)15(22)9-14(19)10-18-5-3-17(4-6-18)7-8-20/h9,11,13,20-21,23H,2-8,10,12H2,1H3
InChIKeyPYPAXJJGSRMSMT-UHFFFAOYSA-N
XLogP-0.39
TPSA89.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one with MolForge

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Related Compounds

5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one
CID 94959809
3-[[5-hydroxy-1-(1-hydroxybutan-2-yl)-4-oxo-2-pyridinyl]methyl-methylamino]propanoic acid
CID 82218798
2-[2-(azepan-1-ylmethyl)-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218070
5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
CID 94960399
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
1-cyclopentyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one
CID 82218423
4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
CID 82218661
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one
CID 82017846
6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63312584
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
The IUPAC name of 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one (CID 82218784) is 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one is CCC(CO)n1cc(O)c(=O)cc1CN1CCN(CCO)CC1.
What is the InChIKey of 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
The InChIKey is PYPAXJJGSRMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-2-13(12-21)19-11-16(23)15(22)9-14(19)10-18-5-3-17(4-6-18)7-8-20/h9,11,13,20-21,23H,2-8,10,12H2,1H3.
What are the key properties of 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one has a molecular weight of 325.41 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one is sourced from PubChem (CID 82218784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).