2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C17H27N3O3 — CID 126864206

IUPAC2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(CC3(O)CCCOC3)CC2)n1
InChIInChI=1S/C17H27N3O3/c1-14-3-4-16(21)20(18-14)11-15-5-8-19(9-6-15)12-17(22)7-2-10-23-13-17/h3-4,15,22H,2,5-13H2,1H3
InChIKeyJQCDFVDTNBKGMK-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.81
Rot. Bonds4

About 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864206) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864206
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(CC3(O)CCCOC3)CC2)n1
InChIInChI=1S/C17H27N3O3/c1-14-3-4-16(21)20(18-14)11-15-5-8-19(9-6-15)12-17(22)7-2-10-23-13-17/h3-4,15,22H,2,5-13H2,1H3
InChIKeyJQCDFVDTNBKGMK-UHFFFAOYSA-N
XLogP0.81
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863077
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945054
3-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943739
2-[[1-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863076
4-[2-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126864129
6-tert-butyl-2-[2-[4-[(3-hydroxyoxan-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914281
6-cyclopropyl-3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941931
2-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863349
2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863942
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
6-methyl-2-[[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864063

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864206) is 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(CC3(O)CCCOC3)CC2)n1.
What is the InChIKey of 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is JQCDFVDTNBKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-14-3-4-16(21)20(18-14)11-15-5-8-19(9-6-15)12-17(22)7-2-10-23-13-17/h3-4,15,22H,2,5-13H2,1H3.
What are the key properties of 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 321.42 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).