(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate

C20H18N4O4 — CID 9475876

IUPAC(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
SMILESO=C(OCn1nnc2ccccc2c1=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H18N4O4/c25-18-7-3-4-12-23(18)15-10-8-14(9-11-15)20(27)28-13-24-19(26)16-5-1-2-6-17(16)21-22-24/h1-2,5-6,8-11H,3-4,7,12-13H2
InChIKeyBKIHKHWFFGUCDS-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.12
Rot. Bonds4

About (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate (PubChem CID 9475876) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate.

Molecular Properties

Compound Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
PubChem CID9475876
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
SMILESO=C(OCn1nnc2ccccc2c1=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H18N4O4/c25-18-7-3-4-12-23(18)15-10-8-14(9-11-15)20(27)28-13-24-19(26)16-5-1-2-6-17(16)21-22-24/h1-2,5-6,8-11H,3-4,7,12-13H2
InChIKeyBKIHKHWFFGUCDS-UHFFFAOYSA-N
XLogP2.12
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204399
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-dithian-2-yl)benzoate
CID 8595090
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536451
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 2539361
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 16529095
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-piperidin-1-ylsulfonylbenzoate
CID 2566100
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate
CID 4814604
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-benzothiazole-6-carboxylate
CID 2597298
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylbenzoate
CID 694208
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 55441480

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate?
The IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate (CID 9475876) is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate.
What is the SMILES notation for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate?
The canonical SMILES for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate is O=C(OCn1nnc2ccccc2c1=O)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate?
The InChIKey is BKIHKHWFFGUCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-18-7-3-4-12-23(18)15-10-8-14(9-11-15)20(27)28-13-24-19(26)16-5-1-2-6-17(16)21-22-24/h1-2,5-6,8-11H,3-4,7,12-13H2.
What are the key properties of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate?
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate has a molecular weight of 378.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate is sourced from PubChem (CID 9475876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).