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

C22H28N4O4 — CID 108553323

IUPACN-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C22H28N4O4/c1-14(2)16-4-6-18(7-5-16)30-15(3)21(28)23-17-10-12-26(13-11-17)22(29)19-8-9-20(27)25-24-19/h4-9,14-15,17H,10-13H2,1-3H3,(H,23,28)(H,25,27)
InChIKeyWDGXHHZCCSLUAD-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.08
Rot. Bonds6

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

N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108553323) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108553323
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C22H28N4O4/c1-14(2)16-4-6-18(7-5-16)30-15(3)21(28)23-17-10-12-26(13-11-17)22(29)19-8-9-20(27)25-24-19/h4-9,14-15,17H,10-13H2,1-3H3,(H,23,28)(H,25,27)
InChIKeyWDGXHHZCCSLUAD-UHFFFAOYSA-N
XLogP2.08
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555019
2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553340
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553309
2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
CID 108553006
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555834
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
2-(4-hydroxyphenoxy)-N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]propanamide
CID 108560056
4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
2-(4-hydroxyphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108551204
4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 108550523
[3-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548550

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108553323) is N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)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-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is WDGXHHZCCSLUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-14(2)16-4-6-18(7-5-16)30-15(3)21(28)23-17-10-12-26(13-11-17)22(29)19-8-9-20(27)25-24-19/h4-9,14-15,17H,10-13H2,1-3H3,(H,23,28)(H,25,27).
What are the key properties of N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 412.49 g/mol, XLogP of 2.08, 6 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-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108553323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).