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

C22H25N5O2 — CID 55753896

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1ccccc1CN1CCC(NC(=O)Cn2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C22H25N5O2/c1-16-6-2-3-7-17(16)14-26-12-10-18(11-13-26)23-21(28)15-27-22(29)19-8-4-5-9-20(19)24-25-27/h2-9,18H,10-15H2,1H3,(H,23,28)
InChIKeyHTINPNQGTZOEOF-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.88
Rot. Bonds5

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

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 55753896) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID55753896
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1ccccc1CN1CCC(NC(=O)Cn2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C22H25N5O2/c1-16-6-2-3-7-17(16)14-26-12-10-18(11-13-26)23-21(28)15-27-22(29)19-8-4-5-9-20(19)24-25-27/h2-9,18H,10-15H2,1H3,(H,23,28)
InChIKeyHTINPNQGTZOEOF-UHFFFAOYSA-N
XLogP1.88
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 55753896) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is Cc1ccccc1CN1CCC(NC(=O)Cn2nnc3ccccc3c2=O)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is HTINPNQGTZOEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-6-2-3-7-17(16)14-26-12-10-18(11-13-26)23-21(28)15-27-22(29)19-8-4-5-9-20(19)24-25-27/h2-9,18H,10-15H2,1H3,(H,23,28).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 55753896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).