4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

C13H19N3O3 — CID 43417264

IUPAC4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCN(CCO)CC2)cc1=O
InChIInChI=1S/C13H19N3O3/c1-14-3-2-11(10-12(14)18)13(19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3
InChIKeyODIXSJRXFOUODW-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.86
Rot. Bonds3

About 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 43417264) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID43417264
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCN(CCO)CC2)cc1=O
InChIInChI=1S/C13H19N3O3/c1-14-3-2-11(10-12(14)18)13(19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3
InChIKeyODIXSJRXFOUODW-UHFFFAOYSA-N
XLogP-0.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (CID 43417264) is 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCN(CCO)CC2)cc1=O.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is ODIXSJRXFOUODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-3-2-11(10-12(14)18)13(19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3.
What are the key properties of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 265.31 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 43417264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).