2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

C12H16ClN3O2 — CID 110208245

IUPAC2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCCN(C(=O)CCl)C2)nn1
InChIInChI=1S/C12H16ClN3O2/c1-9-4-5-11(15-14-9)18-10-3-2-6-16(8-10)12(17)7-13/h4-5,10H,2-3,6-8H2,1H3
InChIKeyLTPHYPMENBKIAW-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.39
Rot. Bonds3

About 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (PubChem CID 110208245) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
PubChem CID110208245
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCCN(C(=O)CCl)C2)nn1
InChIInChI=1S/C12H16ClN3O2/c1-9-4-5-11(15-14-9)18-10-3-2-6-16(8-10)12(17)7-13/h4-5,10H,2-3,6-8H2,1H3
InChIKeyLTPHYPMENBKIAW-UHFFFAOYSA-N
XLogP1.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
CID 110208246
1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 100643060
(4-methylpiperazin-1-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100643728
N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638896
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone
CID 100643748
5,6-dimethyl-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 100642595
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
furan-3-yl-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642616
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642537
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627736
1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
CID 90638608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (CID 110208245) is 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is Cc1ccc(OC2CCCN(C(=O)CCl)C2)nn1.
What is the InChIKey of 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is LTPHYPMENBKIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-9-4-5-11(15-14-9)18-10-3-2-6-16(8-10)12(17)7-13/h4-5,10H,2-3,6-8H2,1H3.
What are the key properties of 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 269.73 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 110208245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).