cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone

C20H28N2O3 — CID 110801029

IUPACcyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H28N2O3/c1-15-8-9-18(25-2)17(14-15)20(24)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3
InChIKeyAMVMKPSTQHGHQE-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.87
Rot. Bonds3

About cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone

cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110801029) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID110801029
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Namecyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H28N2O3/c1-15-8-9-18(25-2)17(14-15)20(24)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3
InChIKeyAMVMKPSTQHGHQE-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-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

cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801618
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 110801677
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone (CID 110801029) is cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone is COc1ccc(C)cc1C(=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is AMVMKPSTQHGHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-8-9-18(25-2)17(14-15)20(24)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3.
What are the key properties of cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 344.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).