N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide

C18H24N4O2 — CID 142149822

IUPACN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-16(23)20-21-18(13)14-5-7-15(8-6-14)19-17(24)12-22-9-3-2-4-10-22/h5-8,13H,2-4,9-12H2,1H3,(H,19,24)(H,20,23)
InChIKeyBDJPXXXGCXFJLM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.97
Rot. Bonds4

About N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide

N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 142149822) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide
PubChem CID142149822
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-16(23)20-21-18(13)14-5-7-15(8-6-14)19-17(24)12-22-9-3-2-4-10-22/h5-8,13H,2-4,9-12H2,1H3,(H,19,24)(H,20,23)
InChIKeyBDJPXXXGCXFJLM-UHFFFAOYSA-N
XLogP1.97
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide (CID 142149822) is N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide is CC1CC(=O)NN=C1c1ccc(NC(=O)CN2CCCCC2)cc1.
What is the InChIKey of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is BDJPXXXGCXFJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-16(23)20-21-18(13)14-5-7-15(8-6-14)19-17(24)12-22-9-3-2-4-10-22/h5-8,13H,2-4,9-12H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide?
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 328.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 142149822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).