N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C17H18N4O4 — CID 53202014

IUPACN-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H18N4O4/c22-16-8-13(9-18-20-16)21-5-3-11(4-6-21)17(23)19-12-1-2-14-15(7-12)25-10-24-14/h1-2,7-9,11H,3-6,10H2,(H,19,23)(H,20,22)
InChIKeyOOBZNTUAIQGIQW-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.35
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202014) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202014
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H18N4O4/c22-16-8-13(9-18-20-16)21-5-3-11(4-6-21)17(23)19-12-1-2-14-15(7-12)25-10-24-14/h1-2,7-9,11H,3-6,10H2,(H,19,23)(H,20,22)
InChIKeyOOBZNTUAIQGIQW-UHFFFAOYSA-N
XLogP1.35
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202014) is N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is OOBZNTUAIQGIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-16-8-13(9-18-20-16)21-5-3-11(4-6-21)17(23)19-12-1-2-14-15(7-12)25-10-24-14/h1-2,7-9,11H,3-6,10H2,(H,19,23)(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).