[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone

C16H25N5O — CID 109112634

IUPAC[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCCCC3)nn2)CC1
InChIInChI=1S/C16H25N5O/c1-2-19-10-12-20(13-11-19)15-7-6-14(17-18-15)16(22)21-8-4-3-5-9-21/h6-7H,2-5,8-13H2,1H3
InChIKeyDVYITHDYUNRZJU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.24
Rot. Bonds3

About [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone

[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 109112634) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
PubChem CID109112634
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCCCC3)nn2)CC1
InChIInChI=1S/C16H25N5O/c1-2-19-10-12-20(13-11-19)15-7-6-14(17-18-15)16(22)21-8-4-3-5-9-21/h6-7H,2-5,8-13H2,1H3
InChIKeyDVYITHDYUNRZJU-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.24
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
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113322
ethyl 4-[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109116660
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116657
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
[5-(4-ethylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273513
(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121038209

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone (CID 109112634) is [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone is CCN1CCN(c2ccc(C(=O)N3CCCCC3)nn2)CC1.
What is the InChIKey of [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is DVYITHDYUNRZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-2-19-10-12-20(13-11-19)15-7-6-14(17-18-15)16(22)21-8-4-3-5-9-21/h6-7H,2-5,8-13H2,1H3.
What are the key properties of [6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone?
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.24, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 109112634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).