1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C22H30N2O2 — CID 4205495

IUPAC1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-26-20-4-2-19(3-5-20)23-6-8-24(9-7-23)21(25)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3
InChIKeyAINIPSIOIUEFSR-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.56
Rot. Bonds3

About 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 4205495) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID4205495
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-26-20-4-2-19(3-5-20)23-6-8-24(9-7-23)21(25)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3
InChIKeyAINIPSIOIUEFSR-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-adamantyl-[4-(4-methoxyphenyl)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

1-adamantyl-[4-(4-ethylphenyl)piperazin-1-yl]methanone
CID 2957139
1-adamantyl-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 2941646
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
methyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 110365670
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
2-bicyclo[2.2.1]heptanyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51261936
1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51856452
1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971255
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 8012085
[(5S,7S)-3-(4-methoxyphenyl)-1-adamantyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 98606495
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970865

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 4205495) is 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is AINIPSIOIUEFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-26-20-4-2-19(3-5-20)23-6-8-24(9-7-23)21(25)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3.
What are the key properties of 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 354.49 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4205495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).