1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one

C15H23N3O3 — CID 56803127

IUPAC1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCC(C)(O)CN1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C15H23N3O3/c1-15(2,21)12-16-7-9-17(10-8-16)14(20)11-18-6-4-3-5-13(18)19/h3-6,21H,7-12H2,1-2H3
InChIKeyFQJWGIFXONBNBT-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.24
Rot. Bonds4

About 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 56803127) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID56803127
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCC(C)(O)CN1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C15H23N3O3/c1-15(2,21)12-16-7-9-17(10-8-16)14(20)11-18-6-4-3-5-13(18)19/h3-6,21H,7-12H2,1-2H3
InChIKeyFQJWGIFXONBNBT-UHFFFAOYSA-N
XLogP-0.24
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (CID 56803127) is 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is CC(C)(O)CN1CCN(C(=O)Cn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is FQJWGIFXONBNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,21)12-16-7-9-17(10-8-16)14(20)11-18-6-4-3-5-13(18)19/h3-6,21H,7-12H2,1-2H3.
What are the key properties of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 293.37 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 56803127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).