7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one

C15H19N3O3 — CID 39161811

IUPAC7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)OCC(=O)N2CC(=O)N1CCNCC1
InChIInChI=1S/C15H19N3O3/c1-11-2-3-12-13(8-11)21-10-15(20)18(12)9-14(19)17-6-4-16-5-7-17/h2-3,8,16H,4-7,9-10H2,1H3
InChIKeyUCEBKJNEDULRCK-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.15
Rot. Bonds2

About 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one

7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 39161811) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one
PubChem CID39161811
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)OCC(=O)N2CC(=O)N1CCNCC1
InChIInChI=1S/C15H19N3O3/c1-11-2-3-12-13(8-11)21-10-15(20)18(12)9-14(19)17-6-4-16-5-7-17/h2-3,8,16H,4-7,9-10H2,1H3
InChIKeyUCEBKJNEDULRCK-UHFFFAOYSA-N
XLogP0.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 3956945
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-1,4-benzoxazin-3-one
CID 46857251
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one
CID 5055436
N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 7495255
7-bromo-4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 39276711
4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
2-methyl-2-[[2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 92942487
N-[2-(dimethylamino)ethyl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 143767409
N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide
CID 39163327
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1,4-benzoxazin-3-one
CID 4007709
N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide
CID 46857198
6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one
CID 97145463

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one (CID 39161811) is 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one is Cc1ccc2c(c1)OCC(=O)N2CC(=O)N1CCNCC1.
What is the InChIKey of 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is UCEBKJNEDULRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-2-3-12-13(8-11)21-10-15(20)18(12)9-14(19)17-6-4-16-5-7-17/h2-3,8,16H,4-7,9-10H2,1H3.
What are the key properties of 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one?
7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 289.33 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 39161811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).