(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C22H29N5O — CID 121053805

IUPAC(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-6-7-18(2)19(16-17)22(28)27-14-12-26(13-15-27)21-9-8-20(23-24-21)25-10-4-3-5-11-25/h6-9,16H,3-5,10-15H2,1-2H3
InChIKeyGHYOAUFWESQOLR-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.05
Rot. Bonds3

About (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121053805) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121053805
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-6-7-18(2)19(16-17)22(28)27-14-12-26(13-15-27)21-9-8-20(23-24-21)25-10-4-3-5-11-25/h6-9,16H,3-5,10-15H2,1-2H3
InChIKeyGHYOAUFWESQOLR-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053795
6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849794
(2,5-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699516
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122334961
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(2,4-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699055
(2,5-dimethylphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702820
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70702764
[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67422287
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
(5-methyl-1,2-oxazol-3-yl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334658

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121053805) is (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ccc(C)c(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is GHYOAUFWESQOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-6-7-18(2)19(16-17)22(28)27-14-12-26(13-15-27)21-9-8-20(23-24-21)25-10-4-3-5-11-25/h6-9,16H,3-5,10-15H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 379.51 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121053805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).