N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

C18H28N4O2 — CID 53203768

IUPACN-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C18H28N4O2/c23-17-11-16(12-19-21-17)22-10-6-7-14(13-22)18(24)20-15-8-4-2-1-3-5-9-15/h11-12,14-15H,1-10,13H2,(H,20,24)(H,21,23)
InChIKeyBIANLAODTLDBMX-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.22
Rot. Bonds3

About N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203768) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203768
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C18H28N4O2/c23-17-11-16(12-19-21-17)22-10-6-7-14(13-22)18(24)20-15-8-4-2-1-3-5-9-15/h11-12,14-15H,1-10,13H2,(H,20,24)(H,21,23)
InChIKeyBIANLAODTLDBMX-UHFFFAOYSA-N
XLogP2.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203768) is N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is O=C(NC1CCCCCCC1)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is BIANLAODTLDBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17-11-16(12-19-21-17)22-10-6-7-14(13-22)18(24)20-15-8-4-2-1-3-5-9-15/h11-12,14-15H,1-10,13H2,(H,20,24)(H,21,23).
What are the key properties of N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).