2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

C23H36N4O — CID 134483239

IUPAC2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1N1CCN(C(=O)CN2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H36N4O/c1-20-7-5-6-10-22(20)26-15-17-27(18-16-26)23(28)19-24-11-13-25(14-12-24)21-8-3-2-4-9-21/h5-7,10,21H,2-4,8-9,11-19H2,1H3
InChIKeySODFWFCSRFKMSE-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 134483239) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
PubChem CID134483239
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1N1CCN(C(=O)CN2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H36N4O/c1-20-7-5-6-10-22(20)26-15-17-27(18-16-26)23(28)19-24-11-13-25(14-12-24)21-8-3-2-4-9-21/h5-7,10,21H,2-4,8-9,11-19H2,1H3
InChIKeySODFWFCSRFKMSE-UHFFFAOYSA-N
XLogP2.59
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
2-[4-(2-amino-3-methylbenzoyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442950
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 57442735
2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 57442367
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
CID 56890289

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone (CID 134483239) is 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone is Cc1ccccc1N1CCN(C(=O)CN2CCN(C3CCCCC3)CC2)CC1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is SODFWFCSRFKMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-20-7-5-6-10-22(20)26-15-17-27(18-16-26)23(28)19-24-11-13-25(14-12-24)21-8-3-2-4-9-21/h5-7,10,21H,2-4,8-9,11-19H2,1H3.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 384.57 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134483239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).