N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide

C18H20N4O4 — CID 108555834

IUPACN-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C18H20N4O4/c23-16-7-6-15(20-21-16)18(25)22-10-8-13(9-11-22)19-17(24)12-26-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,19,24)(H,21,23)
InChIKeySBGXTEREVDFBEG-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.57
Rot. Bonds5

About N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide

N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide (PubChem CID 108555834) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
PubChem CID108555834
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C18H20N4O4/c23-16-7-6-15(20-21-16)18(25)22-10-8-13(9-11-22)19-17(24)12-26-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,19,24)(H,21,23)
InChIKeySBGXTEREVDFBEG-UHFFFAOYSA-N
XLogP0.57
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
CID 108553006
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
2-(4-methylphenoxy)-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 108557017
[3-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548550
4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 108550523
5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551744
3-[4-(4-phenoxybutanoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 108546999
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553323
3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35951602
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 78980909

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide (CID 108555834) is N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide?
The InChIKey is SBGXTEREVDFBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-16-7-6-15(20-21-16)18(25)22-10-8-13(9-11-22)19-17(24)12-26-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,19,24)(H,21,23).
What are the key properties of N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide?
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide has a molecular weight of 356.38 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide is sourced from PubChem (CID 108555834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).