[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone

C27H30ClN5O — CID 121071841

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESCc1ccccc1-c1ccc(N2CCC(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)nn1
InChIInChI=1S/C27H30ClN5O/c1-20-4-2-3-5-24(20)25-10-11-26(30-29-25)32-14-12-21(13-15-32)27(34)33-18-16-31(17-19-33)23-8-6-22(28)7-9-23/h2-11,21H,12-19H2,1H3
InChIKeyPBOXRXMQDXDQSW-UHFFFAOYSA-N
MW476.02 g/mol
LogP4.67
Rot. Bonds4

About [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone

[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone (PubChem CID 121071841) has the molecular formula C27H30ClN5O and a molecular weight of 476.02 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
PubChem CID121071841
Molecular FormulaC27H30ClN5O
Molecular Weight476.02 g/mol
Exact Mass475.21
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESCc1ccccc1-c1ccc(N2CCC(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)nn1
InChIInChI=1S/C27H30ClN5O/c1-20-4-2-3-5-24(20)25-10-11-26(30-29-25)32-14-12-21(13-15-32)27(34)33-18-16-31(17-19-33)23-8-6-22(28)7-9-23/h2-11,21H,12-19H2,1H3
InChIKeyPBOXRXMQDXDQSW-UHFFFAOYSA-N
XLogP4.67
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-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

[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071687
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 30362919
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121118770
1-(4-fluorophenyl)-4-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121060056
2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30363670
[4-(3-methoxyphenyl)piperazin-1-yl]-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121072002
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363619
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30363605
1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
CID 56770692
N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363998
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone (CID 121071841) is [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone is Cc1ccccc1-c1ccc(N2CCC(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)nn1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
The InChIKey is PBOXRXMQDXDQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O/c1-20-4-2-3-5-24(20)25-10-11-26(30-29-25)32-14-12-21(13-15-32)27(34)33-18-16-31(17-19-33)23-8-6-22(28)7-9-23/h2-11,21H,12-19H2,1H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone has a molecular weight of 476.02 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 121071841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).