[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate

C11H15N3O3 — CID 141386545

IUPAC[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate
SMILESCn1nc(N2CCC(OC=O)CC2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-13-11(16)3-2-10(12-13)14-6-4-9(5-7-14)17-8-15/h2-3,8-9H,4-7H2,1H3
InChIKeyMGGPAESUSIMEPV-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.08
Rot. Bonds3

About [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate

[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate (PubChem CID 141386545) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate.

Molecular Properties

Compound Name[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate
PubChem CID141386545
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate
SMILESCn1nc(N2CCC(OC=O)CC2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-13-11(16)3-2-10(12-13)14-6-4-9(5-7-14)17-8-15/h2-3,8-9H,4-7H2,1H3
InChIKeyMGGPAESUSIMEPV-UHFFFAOYSA-N
XLogP-0.08
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate?
The IUPAC name of [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate (CID 141386545) is [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate.
What is the SMILES notation for [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate?
The canonical SMILES for [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate is Cn1nc(N2CCC(OC=O)CC2)ccc1=O.
What is the InChIKey of [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate?
The InChIKey is MGGPAESUSIMEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-11(16)3-2-10(12-13)14-6-4-9(5-7-14)17-8-15/h2-3,8-9H,4-7H2,1H3.
What are the key properties of [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate?
[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate has a molecular weight of 237.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] formate is sourced from PubChem (CID 141386545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).