3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one

C21H22N4O4 — CID 16669189

IUPAC3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
SMILESCOc1cccc(OC)c1C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C21H22N4O4/c1-28-17-8-5-9-18(29-2)19(17)21(27)24-12-10-14(11-13-24)25-20(26)15-6-3-4-7-16(15)22-23-25/h3-9,14H,10-13H2,1-2H3
InChIKeySGLOCQNBYCDYJW-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.29
Rot. Bonds4

About 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one

3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one (PubChem CID 16669189) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
PubChem CID16669189
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
SMILESCOc1cccc(OC)c1C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C21H22N4O4/c1-28-17-8-5-9-18(29-2)19(17)21(27)24-12-10-14(11-13-24)25-20(26)15-6-3-4-7-16(15)22-23-25/h3-9,14H,10-13H2,1-2H3
InChIKeySGLOCQNBYCDYJW-UHFFFAOYSA-N
XLogP2.29
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2-phenylpropanoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16675558
3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16672276
3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16669188
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 53299079
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 110849120
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915
(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086533
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607
3-[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 95807617
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
3-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 56798223

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one (CID 16669189) is 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one is COc1cccc(OC)c1C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one?
The InChIKey is SGLOCQNBYCDYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-17-8-5-9-18(29-2)19(17)21(27)24-12-10-14(11-13-24)25-20(26)15-6-3-4-7-16(15)22-23-25/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one?
3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one has a molecular weight of 394.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 16669189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).