5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one

C19H23N3O3 — CID 71700826

IUPAC5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(OCC(=O)N2CCN(Cc3ccccc3)CC2)c[nH]1
InChIInChI=1S/C19H23N3O3/c1-15-11-17(23)18(12-20-15)25-14-19(24)22-9-7-21(8-10-22)13-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,20,23)
InChIKeyOUFBMWQIBKQSPV-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.41
Rot. Bonds5

About 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one

5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one (PubChem CID 71700826) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
PubChem CID71700826
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(OCC(=O)N2CCN(Cc3ccccc3)CC2)c[nH]1
InChIInChI=1S/C19H23N3O3/c1-15-11-17(23)18(12-20-15)25-14-19(24)22-9-7-21(8-10-22)13-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,20,23)
InChIKeyOUFBMWQIBKQSPV-UHFFFAOYSA-N
XLogP1.41
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one (CID 71700826) is 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(OCC(=O)N2CCN(Cc3ccccc3)CC2)c[nH]1.
What is the InChIKey of 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
The InChIKey is OUFBMWQIBKQSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15-11-17(23)18(12-20-15)25-14-19(24)22-9-7-21(8-10-22)13-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,20,23).
What are the key properties of 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one?
5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one has a molecular weight of 341.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 71700826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).