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

C16H27N3O3 — CID 94959809

IUPAC5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one
SMILESCC(C)Cn1cc(O)c(=O)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C16H27N3O3/c1-13(2)10-19-12-16(22)15(21)9-14(19)11-18-5-3-17(4-6-18)7-8-20/h9,12-13,20,22H,3-8,10-11H2,1-2H3
InChIKeyNWLFJAWARINUFV-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.32
Rot. Bonds6

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

5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one (PubChem CID 94959809) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one
PubChem CID94959809
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one
SMILESCC(C)Cn1cc(O)c(=O)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C16H27N3O3/c1-13(2)10-19-12-16(22)15(21)9-14(19)11-18-5-3-17(4-6-18)7-8-20/h9,12-13,20,22H,3-8,10-11H2,1-2H3
InChIKeyNWLFJAWARINUFV-UHFFFAOYSA-N
XLogP0.32
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one (CID 94959809) is 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one is CC(C)Cn1cc(O)c(=O)cc1CN1CCN(CCO)CC1.
What is the InChIKey of 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one?
The InChIKey is NWLFJAWARINUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-13(2)10-19-12-16(22)15(21)9-14(19)11-18-5-3-17(4-6-18)7-8-20/h9,12-13,20,22H,3-8,10-11H2,1-2H3.
What are the key properties of 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one?
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one has a molecular weight of 309.41 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one is sourced from PubChem (CID 94959809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).