[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone

C22H26ClN5O2 — CID 75361395

IUPAC[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CCN(c4ccc(Cl)nn4)CC3)C2)cc1
InChIInChI=1S/C22H26ClN5O2/c1-16-4-6-17(7-5-16)21(29)28-10-2-3-18(15-28)22(30)27-13-11-26(12-14-27)20-9-8-19(23)24-25-20/h4-9,18H,2-3,10-15H2,1H3
InChIKeyWHVGBVQOHPLTBH-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.64
Rot. Bonds3

About [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone

[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone (PubChem CID 75361395) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
PubChem CID75361395
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CCN(c4ccc(Cl)nn4)CC3)C2)cc1
InChIInChI=1S/C22H26ClN5O2/c1-16-4-6-17(7-5-16)21(29)28-10-2-3-18(15-28)22(30)27-13-11-26(12-14-27)20-9-8-19(23)24-25-20/h4-9,18H,2-3,10-15H2,1H3
InChIKeyWHVGBVQOHPLTBH-UHFFFAOYSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 96557217
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 55622645
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 94178167
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 119563251
methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557518
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557517

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone (CID 75361395) is [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone is Cc1ccc(C(=O)N2CCCC(C(=O)N3CCN(c4ccc(Cl)nn4)CC3)C2)cc1.
What is the InChIKey of [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
The InChIKey is WHVGBVQOHPLTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-16-4-6-17(7-5-16)21(29)28-10-2-3-18(15-28)22(30)27-13-11-26(12-14-27)20-9-8-19(23)24-25-20/h4-9,18H,2-3,10-15H2,1H3.
What are the key properties of [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone has a molecular weight of 427.94 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 75361395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).