3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one

C13H18ClN3O2 — CID 110208246

IUPAC3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
SMILESCc1ccc(OC2CCCN(C(=O)CCCl)C2)nn1
InChIInChI=1S/C13H18ClN3O2/c1-10-4-5-12(16-15-10)19-11-3-2-8-17(9-11)13(18)6-7-14/h4-5,11H,2-3,6-9H2,1H3
InChIKeySKLUEMVRAKCMKF-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.78
Rot. Bonds4

About 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one

3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one (PubChem CID 110208246) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
PubChem CID110208246
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
SMILESCc1ccc(OC2CCCN(C(=O)CCCl)C2)nn1
InChIInChI=1S/C13H18ClN3O2/c1-10-4-5-12(16-15-10)19-11-3-2-8-17(9-11)13(18)6-7-14/h4-5,11H,2-3,6-9H2,1H3
InChIKeySKLUEMVRAKCMKF-UHFFFAOYSA-N
XLogP1.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063
1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 100643060
1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
CID 90638608
(4-methylpiperazin-1-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100643728
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone
CID 100643748
N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638896
5,6-dimethyl-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 100642595
3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 110208360
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642537
furan-3-yl-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642616

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one (CID 110208246) is 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one is Cc1ccc(OC2CCCN(C(=O)CCCl)C2)nn1.
What is the InChIKey of 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one?
The InChIKey is SKLUEMVRAKCMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-10-4-5-12(16-15-10)19-11-3-2-8-17(9-11)13(18)6-7-14/h4-5,11H,2-3,6-9H2,1H3.
What are the key properties of 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one?
3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one has a molecular weight of 283.76 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 110208246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).