N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

C17H27N5O3 — CID 20865083

IUPACN-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C17H27N5O3/c1-24-11-6-18-17(23)14-4-7-21(8-5-14)15-2-3-16(20-19-15)22-9-12-25-13-10-22/h2-3,14H,4-13H2,1H3,(H,18,23)
InChIKeyPJOZDFUPHIWQLF-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.29
Rot. Bonds6

About N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 20865083) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID20865083
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C17H27N5O3/c1-24-11-6-18-17(23)14-4-7-21(8-5-14)15-2-3-16(20-19-15)22-9-12-25-13-10-22/h2-3,14H,4-13H2,1H3,(H,18,23)
InChIKeyPJOZDFUPHIWQLF-UHFFFAOYSA-N
XLogP0.29
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-({[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3239594
N-(3-methoxypropyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 16188092
N-(oxan-4-yl)-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
CID 95826705
1-(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 7292459
2-Methyl-1-(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 7292461
Azepan-1-yl-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 46297875
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 46297902
Azepan-1-yl-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297903
[1-[6-(Dimethylamino)pyridazin-3-yl]piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 46297909
N-{3-[cyclohexyl(methyl)amino]propyl}-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771154
N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771801
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771807

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 20865083) is N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is PJOZDFUPHIWQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-24-11-6-18-17(23)14-4-7-21(8-5-14)15-2-3-16(20-19-15)22-9-12-25-13-10-22/h2-3,14H,4-13H2,1H3,(H,18,23).
What are the key properties of N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20865083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).