2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide

C17H23N5O2 — CID 35410706

IUPAC2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCCCN1CCCCC1
InChIInChI=1S/C17H23N5O2/c23-16(18-9-6-12-21-10-4-1-5-11-21)13-22-17(24)14-7-2-3-8-15(14)19-20-22/h2-3,7-8H,1,4-6,9-13H2,(H,18,23)
InChIKeyBIZUWAWJBMUQIK-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.78
Rot. Bonds6

About 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 35410706) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID35410706
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCCCN1CCCCC1
InChIInChI=1S/C17H23N5O2/c23-16(18-9-6-12-21-10-4-1-5-11-21)13-22-17(24)14-7-2-3-8-15(14)19-20-22/h2-3,7-8H,1,4-6,9-13H2,(H,18,23)
InChIKeyBIZUWAWJBMUQIK-UHFFFAOYSA-N
XLogP0.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24516091
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602441
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391217
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 127848801
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
CID 694457
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24533415
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27796048

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide (CID 35410706) is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide is O=C(Cn1nnc2ccccc2c1=O)NCCCN1CCCCC1.
What is the InChIKey of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is BIZUWAWJBMUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-16(18-9-6-12-21-10-4-1-5-11-21)13-22-17(24)14-7-2-3-8-15(14)19-20-22/h2-3,7-8H,1,4-6,9-13H2,(H,18,23).
What are the key properties of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 35410706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).