(3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C13H18ClN3O — CID 113439512

IUPAC(3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCCC(Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-3-12-11(7-9(2)15-16-12)13(18)17-6-4-5-10(14)8-17/h7,10H,3-6,8H2,1-2H3
InChIKeyRTZJZEGYIIMDAV-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.19
Rot. Bonds2

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

(3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 113439512) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID113439512
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCCC(Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-3-12-11(7-9(2)15-16-12)13(18)17-6-4-5-10(14)8-17/h7,10H,3-6,8H2,1-2H3
InChIKeyRTZJZEGYIIMDAV-UHFFFAOYSA-N
XLogP2.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.19
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
1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidine-3-carbothioamide
CID 104670482
(3-chloro-4-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 102961338
(3-ethyl-6-methylpyridazin-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 104625716
(3-aminopyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 113439379
(3-chloropyrrolidin-1-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 104672469
1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one
CID 104670555
(3-amino-5-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671650
[2-(aminomethyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671716
(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 104625783
[4-(ethylaminomethyl)piperidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671661
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 104669654

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 113439512) is (3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)N1CCCC(Cl)C1.
What is the InChIKey of (3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is RTZJZEGYIIMDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-12-11(7-9(2)15-16-12)13(18)17-6-4-5-10(14)8-17/h7,10H,3-6,8H2,1-2H3.
What are the key properties of (3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 113439512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).