6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

C19H24N4O3 — CID 126863855

IUPAC6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(C(=O)c3noc4c3CCCC4)CC2)n1
InChIInChI=1S/C19H24N4O3/c1-13-6-7-17(24)23(20-13)12-14-8-10-22(11-9-14)19(25)18-15-4-2-3-5-16(15)26-21-18/h6-7,14H,2-5,8-12H2,1H3
InChIKeyRAXSPNDNMGLADS-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.97
Rot. Bonds3

About 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126863855) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126863855
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(C(=O)c3noc4c3CCCC4)CC2)n1
InChIInChI=1S/C19H24N4O3/c1-13-6-7-17(24)23(20-13)12-14-8-10-22(11-9-14)19(25)18-15-4-2-3-5-16(15)26-21-18/h6-7,14H,2-5,8-12H2,1H3
InChIKeyRAXSPNDNMGLADS-UHFFFAOYSA-N
XLogP1.97
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126863855) is 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(C(=O)c3noc4c3CCCC4)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is RAXSPNDNMGLADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-6-7-17(24)23(20-13)12-14-8-10-22(11-9-14)19(25)18-15-4-2-3-5-16(15)26-21-18/h6-7,14H,2-5,8-12H2,1H3.
What are the key properties of 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 356.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126863855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).