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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Related Compounds

AC-260584
CID 9928284
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
4-Methyl-7-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
CID 10718277
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
4H-Benzo[1,4]oxazin-3-one, 4-(2-morpholin-4-yl-2-oxoethyl)-
CID 758044
6,7-Dimethyl-4-[2-oxo-2-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 44449079
4H-1,4-Benzoxazine-4-acetamide,2,3-dihydro-N-(2-methoxy-5-methylphenyl)-6-methyl-3-oxo-(9CI)
CID 1455749
N-(2-fluorophenyl)-2-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
CID 1455757
2-(6-Methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155030
2-Methyl-4-(2-oxo-2-piperidin-1-yl-ethyl)-4H-benzo[1,4]oxazin-3-one
CID 3224947

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).