2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C22H25N5O2 — CID 24516091

IUPAC2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H25N5O2/c28-21(16-27-22(29)19-6-2-3-7-20(19)24-25-27)23-14-17-8-10-18(11-9-17)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-16H2,(H,23,28)
InChIKeySDVJNJBLWXSUNC-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.09
Rot. Bonds6

About 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 24516091) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID24516091
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H25N5O2/c28-21(16-27-22(29)19-6-2-3-7-20(19)24-25-27)23-14-17-8-10-18(11-9-17)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-16H2,(H,23,28)
InChIKeySDVJNJBLWXSUNC-UHFFFAOYSA-N
XLogP2.09
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 36543473
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 35410706
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
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24516361
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
CID 694457
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
2-(2-oxoquinoxalin-1-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 27168668
3-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one
CID 26787483
2-(2-oxo-1-pyridinyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24643030
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 24516091) is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is SDVJNJBLWXSUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-21(16-27-22(29)19-6-2-3-7-20(19)24-25-27)23-14-17-8-10-18(11-9-17)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-16H2,(H,23,28).
What are the key properties of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.09, 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-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24516091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).