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

C20H24N4O4 — CID 108553006

IUPAC2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1C
InChIInChI=1S/C20H24N4O4/c1-13-3-4-16(11-14(13)2)28-12-19(26)21-15-7-9-24(10-8-15)20(27)17-5-6-18(25)23-22-17/h3-6,11,15H,7-10,12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyJPLWMDROUCRAHC-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.19
Rot. Bonds5

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

2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108553006) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID108553006
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1C
InChIInChI=1S/C20H24N4O4/c1-13-3-4-16(11-14(13)2)28-12-19(26)21-15-7-9-24(10-8-15)20(27)17-5-6-18(25)23-22-17/h3-6,11,15H,7-10,12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyJPLWMDROUCRAHC-UHFFFAOYSA-N
XLogP1.19
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555834
2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108560903
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
[3-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548550
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560886
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108553040
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide (CID 108553006) is 2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is JPLWMDROUCRAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13-3-4-16(11-14(13)2)28-12-19(26)21-15-7-9-24(10-8-15)20(27)17-5-6-18(25)23-22-17/h3-6,11,15H,7-10,12H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide?
2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108553006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).