6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one

C14H21N3O4 — CID 43421213

IUPAC6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCCCC2CO)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-21-9-8-17-13(19)6-5-12(15-17)14(20)16-7-3-2-4-11(16)10-18/h5-6,11,18H,2-4,7-10H2,1H3
InChIKeyBPEURSFUYOAEAN-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.12
Rot. Bonds5

About 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one

6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 43421213) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID43421213
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCCCC2CO)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-21-9-8-17-13(19)6-5-12(15-17)14(20)16-7-3-2-4-11(16)10-18/h5-6,11,18H,2-4,7-10H2,1H3
InChIKeyBPEURSFUYOAEAN-UHFFFAOYSA-N
XLogP-0.12
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one (CID 43421213) is 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(C(=O)N2CCCCC2CO)ccc1=O.
What is the InChIKey of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is BPEURSFUYOAEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-21-9-8-17-13(19)6-5-12(15-17)14(20)16-7-3-2-4-11(16)10-18/h5-6,11,18H,2-4,7-10H2,1H3.
What are the key properties of 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one?
6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 295.34 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 43421213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).