5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one

C15H24N4O2 — CID 114395969

IUPAC5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CC3CCNC3)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-14-3-6-18(7-4-14)13-8-15(20)19(17-10-13)11-12-2-5-16-9-12/h8,10,12,14,16H,2-7,9,11H2,1H3
InChIKeyFDRKLMBUYGDNOE-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.47
Rot. Bonds4

About 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one

5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one (PubChem CID 114395969) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
PubChem CID114395969
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CC3CCNC3)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-14-3-6-18(7-4-14)13-8-15(20)19(17-10-13)11-12-2-5-16-9-12/h8,10,12,14,16H,2-7,9,11H2,1H3
InChIKeyFDRKLMBUYGDNOE-UHFFFAOYSA-N
XLogP0.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
CID 154899944
5-morpholin-4-yl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 114395885
5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one
CID 114395972
potassium trifluoro-[[4-(4-methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398775
5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819951
2-[2-(chloromethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 103065891
2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 114396859
2-(3-hydroxybutyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114396739
2-(3-bromopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114394487
2-(3-amino-2-methylpropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114393796
2-[(2R)-2-aminopropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920927
5-morpholin-4-yl-2-(2-piperidin-4-ylethyl)pyridazin-3-one
CID 105061198

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one (CID 114395969) is 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one is COC1CCN(c2cnn(CC3CCNC3)c(=O)c2)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
The InChIKey is FDRKLMBUYGDNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-14-3-6-18(7-4-14)13-8-15(20)19(17-10-13)11-12-2-5-16-9-12/h8,10,12,14,16H,2-7,9,11H2,1H3.
What are the key properties of 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 114395969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).