1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide

C18H20N4O3 — CID 49034903

IUPAC1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)CC1
InChIInChI=1S/C18H20N4O3/c1-12(23)22-9-7-13(8-10-22)18(25)19-15-4-2-3-14(11-15)16-5-6-17(24)21-20-16/h2-6,11,13H,7-10H2,1H3,(H,19,25)(H,21,24)
InChIKeyNXMQNZIARLRDII-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.63
Rot. Bonds3

About 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide

1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide (PubChem CID 49034903) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide
PubChem CID49034903
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)CC1
InChIInChI=1S/C18H20N4O3/c1-12(23)22-9-7-13(8-10-22)18(25)19-15-4-2-3-14(11-15)16-5-6-17(24)21-20-16/h2-6,11,13H,7-10H2,1H3,(H,19,25)(H,21,24)
InChIKeyNXMQNZIARLRDII-UHFFFAOYSA-N
XLogP1.63
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 52538335
1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 51090657
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
(1R,2R,4S)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98140080
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
1-acetyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]piperidine-4-carboxamide
CID 121036578
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropanesulfonamide
CID 108784094

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide (CID 49034903) is 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)CC1.
What is the InChIKey of 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is NXMQNZIARLRDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(23)22-9-7-13(8-10-22)18(25)19-15-4-2-3-14(11-15)16-5-6-17(24)21-20-16/h2-6,11,13H,7-10H2,1H3,(H,19,25)(H,21,24).
What are the key properties of 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 49034903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).