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

C18H22N4O2 — CID 53202048

IUPAC1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-13(14-5-3-2-4-6-14)20-18(24)15-7-9-22(10-8-15)16-11-17(23)21-19-12-16/h2-6,11-13,15H,7-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyQUDDUTIMGVOZPF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.86
Rot. Bonds4

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

1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 53202048) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID53202048
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-13(14-5-3-2-4-6-14)20-18(24)15-7-9-22(10-8-15)16-11-17(23)21-19-12-16/h2-6,11-13,15H,7-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyQUDDUTIMGVOZPF-UHFFFAOYSA-N
XLogP1.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 53202048) is 1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1)c1ccccc1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is QUDDUTIMGVOZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(14-5-3-2-4-6-14)20-18(24)15-7-9-22(10-8-15)16-11-17(23)21-19-12-16/h2-6,11-13,15H,7-10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).