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

C17H22N2O3 — CID 3225007

IUPAC6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCCCC1C)C(=O)CO2
InChIInChI=1S/C17H22N2O3/c1-12-6-7-15-14(9-12)19(17(21)11-22-15)10-16(20)18-8-4-3-5-13(18)2/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeyXCSHYYVJTVVTIL-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.12
Rot. Bonds2

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

6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one (PubChem CID 3225007) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
PubChem CID3225007
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCCCC1C)C(=O)CO2
InChIInChI=1S/C17H22N2O3/c1-12-6-7-15-14(9-12)19(17(21)11-22-15)10-16(20)18-8-4-3-5-13(18)2/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeyXCSHYYVJTVVTIL-UHFFFAOYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

AC-260584
CID 9928284
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
6-{2-[4-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319235
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
4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4H-benzo[1,4]oxazin-3-one
CID 10788207
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
1-{4-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-piperidin-2-one
CID 11742940
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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one (CID 3225007) is 6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(CC(=O)N1CCCCC1C)C(=O)CO2.
What is the InChIKey of 6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The InChIKey is XCSHYYVJTVVTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-6-7-15-14(9-12)19(17(21)11-22-15)10-16(20)18-8-4-3-5-13(18)2/h6-7,9,13H,3-5,8,10-11H2,1-2H3.
What are the key properties of 6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one?
6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one has a molecular weight of 302.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 3225007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).