4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide

C17H20N4O3 — CID 119894528

IUPAC4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(Oc3cccnn3)c2)CCNCC1
InChIInChI=1S/C17H20N4O3/c1-23-17(7-10-18-11-8-17)16(22)20-13-4-2-5-14(12-13)24-15-6-3-9-19-21-15/h2-6,9,12,18H,7-8,10-11H2,1H3,(H,20,22)
InChIKeyNSIIKPGHKKJXDF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.98
Rot. Bonds5

About 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide

4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 119894528) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID119894528
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(Oc3cccnn3)c2)CCNCC1
InChIInChI=1S/C17H20N4O3/c1-23-17(7-10-18-11-8-17)16(22)20-13-4-2-5-14(12-13)24-15-6-3-9-19-21-15/h2-6,9,12,18H,7-8,10-11H2,1H3,(H,20,22)
InChIKeyNSIIKPGHKKJXDF-UHFFFAOYSA-N
XLogP1.98
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119884858
4-methoxy-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119720324
4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119846179
4-methoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-4-carboxamide
CID 119846112
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
CID 119844483
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959
N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119787035
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119399884
N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119770540

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide (CID 119894528) is 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide is COC1(C(=O)Nc2cccc(Oc3cccnn3)c2)CCNCC1.
What is the InChIKey of 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is NSIIKPGHKKJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-17(7-10-18-11-8-17)16(22)20-13-4-2-5-14(12-13)24-15-6-3-9-19-21-15/h2-6,9,12,18H,7-8,10-11H2,1H3,(H,20,22).
What are the key properties of 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide?
4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119894528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).