N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide

C16H22N6O3 — CID 121163340

IUPACN-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C16H22N6O3/c1-24-12-8-17-16(23)21-10-5-13(6-11-21)25-15-4-3-14(19-20-15)22-9-2-7-18-22/h2-4,7,9,13H,5-6,8,10-12H2,1H3,(H,17,23)
InChIKeyUEZHYPZTVQDPIU-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.86
Rot. Bonds6

About N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide

N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide (PubChem CID 121163340) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
PubChem CID121163340
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC NameN-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C16H22N6O3/c1-24-12-8-17-16(23)21-10-5-13(6-11-21)25-15-4-3-14(19-20-15)22-9-2-7-18-22/h2-4,7,9,13H,5-6,8,10-12H2,1H3,(H,17,23)
InChIKeyUEZHYPZTVQDPIU-UHFFFAOYSA-N
XLogP0.86
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.86
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

N-propyl-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 121163347
2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121162979
N-(2-methoxyethyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 91627281
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 90639804
oxan-4-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163206
(2,6-difluorophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163019
(4-iodophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163196
(2,3-dimethoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163003
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163056
1-adamantyl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121162974
2-(4-fluorophenyl)sulfanyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163128
naphthalen-2-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163039

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide (CID 121163340) is N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide is COCCNC(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide?
The InChIKey is UEZHYPZTVQDPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-24-12-8-17-16(23)21-10-5-13(6-11-21)25-15-4-3-14(19-20-15)22-9-2-7-18-22/h2-4,7,9,13H,5-6,8,10-12H2,1H3,(H,17,23).
What are the key properties of N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide?
N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 121163340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).