3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one

C16H25N3O2 — CID 142891604

IUPAC3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one
SMILESC=C(C)CN1CCN(CCn2ccc(=O)c(O)c2C)CC1
InChIInChI=1S/C16H25N3O2/c1-13(2)12-18-8-6-17(7-9-18)10-11-19-5-4-15(20)16(21)14(19)3/h4-5,21H,1,6-12H2,2-3H3
InChIKeyWXVGWFICIXPDBK-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.06
Rot. Bonds5

About 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one

3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one (PubChem CID 142891604) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one
PubChem CID142891604
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one
SMILESC=C(C)CN1CCN(CCn2ccc(=O)c(O)c2C)CC1
InChIInChI=1S/C16H25N3O2/c1-13(2)12-18-8-6-17(7-9-18)10-11-19-5-4-15(20)16(21)14(19)3/h4-5,21H,1,6-12H2,2-3H3
InChIKeyWXVGWFICIXPDBK-UHFFFAOYSA-N
XLogP1.06
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one (CID 142891604) is 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one is C=C(C)CN1CCN(CCn2ccc(=O)c(O)c2C)CC1.
What is the InChIKey of 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one?
The InChIKey is WXVGWFICIXPDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(2)12-18-8-6-17(7-9-18)10-11-19-5-4-15(20)16(21)14(19)3/h4-5,21H,1,6-12H2,2-3H3.
What are the key properties of 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one?
3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one has a molecular weight of 291.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethyl]pyridin-4-one is sourced from PubChem (CID 142891604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).