4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one

C15H19N3O3 — CID 39163207

IUPAC4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCNCC1
InChIInChI=1S/C15H19N3O3/c19-14(17-9-6-16-7-10-17)5-8-18-12-3-1-2-4-13(12)21-11-15(18)20/h1-4,16H,5-11H2
InChIKeyRQWCBTINIAJONO-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.23
Rot. Bonds3

About 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one

4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one (PubChem CID 39163207) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
PubChem CID39163207
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCNCC1
InChIInChI=1S/C15H19N3O3/c19-14(17-9-6-16-7-10-17)5-8-18-12-3-1-2-4-13(12)21-11-15(18)20/h1-4,16H,5-11H2
InChIKeyRQWCBTINIAJONO-UHFFFAOYSA-N
XLogP0.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 5018828
4-[3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 35367982
4-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
CID 86926548
4-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 35951831
N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide
CID 55575029
3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide
CID 119389632
4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 17409754
2-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one;hydrochloride
CID 119402579
4-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 134045157
5-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691867
4-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120816015
4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]-1,4-benzoxazin-3-one
CID 51205452

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one (CID 39163207) is 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one is O=C(CCN1C(=O)COc2ccccc21)N1CCNCC1.
What is the InChIKey of 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one?
The InChIKey is RQWCBTINIAJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(17-9-6-16-7-10-17)5-8-18-12-3-1-2-4-13(12)21-11-15(18)20/h1-4,16H,5-11H2.
What are the key properties of 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one?
4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one has a molecular weight of 289.33 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 39163207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).