6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one

C15H17N3O4 — CID 110763765

IUPAC6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C15H17N3O4/c1-10(19)17-4-6-18(7-5-17)15(21)11-2-3-13-12(8-11)16-14(20)9-22-13/h2-3,8H,4-7,9H2,1H3,(H,16,20)
InChIKeyRGTOZMDVAIONMT-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.32
Rot. Bonds1

About 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one

6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 110763765) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID110763765
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C15H17N3O4/c1-10(19)17-4-6-18(7-5-17)15(21)11-2-3-13-12(8-11)16-14(20)9-22-13/h2-3,8H,4-7,9H2,1H3,(H,16,20)
InChIKeyRGTOZMDVAIONMT-UHFFFAOYSA-N
XLogP0.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 96669404
6-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 110806276
methyl 4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808781
6-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 110801782
6-(4-propanoyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110805801
6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110809923
N-cyclopropyl-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperazin-1-yl]propanamide
CID 55490182
6-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 103726952
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 55442082
6-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86903543
6-[4-[(3,5-difluorophenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138709360
6-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 55447637

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one (CID 110763765) is 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one is CC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is RGTOZMDVAIONMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10(19)17-4-6-18(7-5-17)15(21)11-2-3-13-12(8-11)16-14(20)9-22-13/h2-3,8H,4-7,9H2,1H3,(H,16,20).
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 303.32 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 110763765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).