(3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C14H20ClN3O — CID 102961338

IUPAC(3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCC(C)C(Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-4-13-11(7-10(3)16-17-13)14(19)18-6-5-9(2)12(15)8-18/h7,9,12H,4-6,8H2,1-3H3
InChIKeyUVWBBKALMRTGAF-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.44
Rot. Bonds2

About (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

(3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 102961338) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID102961338
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCC(C)C(Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-4-13-11(7-10(3)16-17-13)14(19)18-6-5-9(2)12(15)8-18/h7,9,12H,4-6,8H2,1-3H3
InChIKeyUVWBBKALMRTGAF-UHFFFAOYSA-N
XLogP2.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chloropyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672468
(3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 113439512
(3-aminopyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 113439379
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 104669654
1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidine-3-carbothioamide
CID 104670482
[4-(ethylaminomethyl)piperidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671661
(3-amino-5-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671650
(3-ethyl-6-methylpyridazin-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 104625716
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117046
4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
CID 104669564
(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 104625783
(3-chloropyrrolidin-1-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 104672469

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 102961338) is (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)N1CCC(C)C(Cl)C1.
What is the InChIKey of (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is UVWBBKALMRTGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-4-13-11(7-10(3)16-17-13)14(19)18-6-5-9(2)12(15)8-18/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 281.79 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 102961338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).