N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C21H28N4O3 — CID 53202195

IUPACN-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)Nc3ccc(OCC)cc3)CC2)cc1=O
InChIInChI=1S/C21H28N4O3/c1-3-11-25-20(26)14-18(15-22-25)24-12-9-16(10-13-24)21(27)23-17-5-7-19(8-6-17)28-4-2/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,23,27)
InChIKeyIGXUXFZMGOUMBE-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.91
Rot. Bonds7

About N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202195) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202195
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)Nc3ccc(OCC)cc3)CC2)cc1=O
InChIInChI=1S/C21H28N4O3/c1-3-11-25-20(26)14-18(15-22-25)24-12-9-16(10-13-24)21(27)23-17-5-7-19(8-6-17)28-4-2/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,23,27)
InChIKeyIGXUXFZMGOUMBE-UHFFFAOYSA-N
XLogP2.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202211
N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202223
N-(4-ethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070628
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367968
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
N-(4-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839397
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42120451
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46378480
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53078059

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202195) is N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)Nc3ccc(OCC)cc3)CC2)cc1=O.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is IGXUXFZMGOUMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-3-11-25-20(26)14-18(15-22-25)24-12-9-16(10-13-24)21(27)23-17-5-7-19(8-6-17)28-4-2/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,23,27).
What are the key properties of N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).