[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

C17H27N5O — CID 109113322

IUPAC[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCC(C)CC3)nn2)CC1
InChIInChI=1S/C17H27N5O/c1-3-20-10-12-21(13-11-20)16-5-4-15(18-19-16)17(23)22-8-6-14(2)7-9-22/h4-5,14H,3,6-13H2,1-2H3
InChIKeySHQUPEPVSZXHEH-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.49
Rot. Bonds3

About [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109113322) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109113322
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCC(C)CC3)nn2)CC1
InChIInChI=1S/C17H27N5O/c1-3-20-10-12-21(13-11-20)16-5-4-15(18-19-16)17(23)22-8-6-14(2)7-9-22/h4-5,14H,3,6-13H2,1-2H3
InChIKeySHQUPEPVSZXHEH-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116657
(4-ethylpiperazin-1-yl)-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275194
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344
[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 119647808
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081659
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 109113322) is [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is CCN1CCN(c2ccc(C(=O)N3CCC(C)CC3)nn2)CC1.
What is the InChIKey of [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SHQUPEPVSZXHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-3-20-10-12-21(13-11-20)16-5-4-15(18-19-16)17(23)22-8-6-14(2)7-9-22/h4-5,14H,3,6-13H2,1-2H3.
What are the key properties of [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 317.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109113322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).