[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate

C19H24N4O4 — CID 55472679

IUPAC[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
SMILESCCC1CCCCN1C(=O)C(C)OC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C19H24N4O4/c1-3-14-8-6-7-11-22(14)18(25)13(2)27-17(24)12-23-19(26)15-9-4-5-10-16(15)20-21-23/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3
InChIKeyDZQYZFNWRZSBQJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.51
Rot. Bonds5

About [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate

[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate (PubChem CID 55472679) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate.

Molecular Properties

Compound Name[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
PubChem CID55472679
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
SMILESCCC1CCCCN1C(=O)C(C)OC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C19H24N4O4/c1-3-14-8-6-7-11-22(14)18(25)13(2)27-17(24)12-23-19(26)15-9-4-5-10-16(15)20-21-23/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3
InChIKeyDZQYZFNWRZSBQJ-UHFFFAOYSA-N
XLogP1.51
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate with MolForge

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Related Compounds

3-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 9489671
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317601
1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761223
(2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 39377779
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734799
3-[2-[(2R)-2-ethyl-3-oxo-1,4-diazepan-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 136586998
3-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 56798223
N-[(1R)-1-cyclopropylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879308
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 75466494
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55473349
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 55441244
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
The IUPAC name of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate (CID 55472679) is [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate.
What is the SMILES notation for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
The canonical SMILES for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate is CCC1CCCCN1C(=O)C(C)OC(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
The InChIKey is DZQYZFNWRZSBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-14-8-6-7-11-22(14)18(25)13(2)27-17(24)12-23-19(26)15-9-4-5-10-16(15)20-21-23/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3.
What are the key properties of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate has a molecular weight of 372.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate is sourced from PubChem (CID 55472679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).