[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C25H35N5O4 — CID 121053512

IUPAC[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCC1CCCCN1c1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nn1
InChIInChI=1S/C25H35N5O4/c1-5-19-8-6-7-11-30(19)23-10-9-22(26-27-23)28-12-14-29(15-13-28)25(31)18-16-20(32-2)24(34-4)21(17-18)33-3/h9-10,16-17,19H,5-8,11-15H2,1-4H3
InChIKeyJHMKVVYIKNZLJO-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.23
Rot. Bonds7

About [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 121053512) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID121053512
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC Name[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCC1CCCCN1c1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nn1
InChIInChI=1S/C25H35N5O4/c1-5-19-8-6-7-11-30(19)23-10-9-22(26-27-23)28-12-14-29(15-13-28)25(31)18-16-20(32-2)24(34-4)21(17-18)33-3/h9-10,16-17,19H,5-8,11-15H2,1-4H3
InChIKeyJHMKVVYIKNZLJO-UHFFFAOYSA-N
XLogP3.23
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-ethoxyphenyl)-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053509
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053718
1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121053530
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 7292437
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109173883
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 121053512) is [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is CCC1CCCCN1c1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nn1.
What is the InChIKey of [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JHMKVVYIKNZLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-5-19-8-6-7-11-30(19)23-10-9-22(26-27-23)28-12-14-29(15-13-28)25(31)18-16-20(32-2)24(34-4)21(17-18)33-3/h9-10,16-17,19H,5-8,11-15H2,1-4H3.
What are the key properties of [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 469.59 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 121053512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).