1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide

C20H19N5O3 — CID 22589921

IUPAC1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-n3nnc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C20H19N5O3/c21-18(26)13-9-11-24(12-10-13)19(27)14-5-7-15(8-6-14)25-20(28)16-3-1-2-4-17(16)22-23-25/h1-8,13H,9-12H2,(H2,21,26)
InChIKeyJVMXIMXPFRFNCF-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.12
Rot. Bonds3

About 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide

1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 22589921) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide
PubChem CID22589921
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-n3nnc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C20H19N5O3/c21-18(26)13-9-11-24(12-10-13)19(27)14-5-7-15(8-6-14)25-20(28)16-3-1-2-4-17(16)22-23-25/h1-8,13H,9-12H2,(H2,21,26)
InChIKeyJVMXIMXPFRFNCF-UHFFFAOYSA-N
XLogP1.12
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide (CID 22589921) is 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(-n3nnc4ccccc4c3=O)cc2)CC1.
What is the InChIKey of 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is JVMXIMXPFRFNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c21-18(26)13-9-11-24(12-10-13)19(27)14-5-7-15(8-6-14)25-20(28)16-3-1-2-4-17(16)22-23-25/h1-8,13H,9-12H2,(H2,21,26).
What are the key properties of 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide?
1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 22589921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).