4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one

C16H20N2O4 — CID 1455770

IUPAC4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCC(O)CC1)C(=O)CO2
InChIInChI=1S/C16H20N2O4/c1-11-2-3-14-13(8-11)18(16(21)10-22-14)9-15(20)17-6-4-12(19)5-7-17/h2-3,8,12,19H,4-7,9-10H2,1H3
InChIKeyJTSGWNXZEONRGZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.70
Rot. Bonds2

About 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one

4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one (PubChem CID 1455770) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one
PubChem CID1455770
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCC(O)CC1)C(=O)CO2
InChIInChI=1S/C16H20N2O4/c1-11-2-3-14-13(8-11)18(16(21)10-22-14)9-15(20)17-6-4-12(19)5-7-17/h2-3,8,12,19H,4-7,9-10H2,1H3
InChIKeyJTSGWNXZEONRGZ-UHFFFAOYSA-N
XLogP0.70
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one (CID 1455770) is 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(CC(=O)N1CCC(O)CC1)C(=O)CO2.
What is the InChIKey of 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one?
The InChIKey is JTSGWNXZEONRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-2-3-14-13(8-11)18(16(21)10-22-14)9-15(20)17-6-4-12(19)5-7-17/h2-3,8,12,19H,4-7,9-10H2,1H3.
What are the key properties of 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one?
4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one has a molecular weight of 304.35 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 1455770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).