(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone

C11H14ClN3O — CID 114682903

IUPAC(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
SMILESCC1CN(C(=O)c2ccnnc2)CCC1Cl
InChIInChI=1S/C11H14ClN3O/c1-8-7-15(5-3-10(8)12)11(16)9-2-4-13-14-6-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyXAADRLUWZCQGSA-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.57
Rot. Bonds1

About (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone

(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone (PubChem CID 114682903) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
PubChem CID114682903
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
SMILESCC1CN(C(=O)c2ccnnc2)CCC1Cl
InChIInChI=1S/C11H14ClN3O/c1-8-7-15(5-3-10(8)12)11(16)9-2-4-13-14-6-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyXAADRLUWZCQGSA-UHFFFAOYSA-N
XLogP1.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.57
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-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
CID 114683018
(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 114683044
(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone
CID 104672542
(4-chloro-3-methylpiperidin-1-yl)-(3-methylphenyl)methanone
CID 114682944
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 114683136
(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide
CID 113439455
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 114683220
[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672545

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone (CID 114682903) is (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone is CC1CN(C(=O)c2ccnnc2)CCC1Cl.
What is the InChIKey of (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone?
The InChIKey is XAADRLUWZCQGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-8-7-15(5-3-10(8)12)11(16)9-2-4-13-14-6-9/h2,4,6,8,10H,3,5,7H2,1H3.
What are the key properties of (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone?
(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone has a molecular weight of 239.71 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 114682903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).