6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride

C26H38ClN3O2 — CID 162674778

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C26H37N3O2.ClH/c1-21(2)22-12-14-23(15-13-22)27-26(30)11-5-4-8-16-28-17-19-29(20-18-28)24-9-6-7-10-25(24)31-3;/h6-7,9-10,12-15,21H,4-5,8,11,16-20H2,1-3H3,(H,27,30);1H
InChIKeyXVAGFQLCFQWGDL-UHFFFAOYSA-N
MW460.06 g/mol
LogP5.56
Rot. Bonds10

About 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride (PubChem CID 162674778) has the molecular formula C26H38ClN3O2 and a molecular weight of 460.06 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
PubChem CID162674778
Molecular FormulaC26H38ClN3O2
Molecular Weight460.06 g/mol
Exact Mass459.27
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C26H37N3O2.ClH/c1-21(2)22-12-14-23(15-13-22)27-26(30)11-5-4-8-16-28-17-19-29(20-18-28)24-9-6-7-10-25(24)31-3;/h6-7,9-10,12-15,21H,4-5,8,11,16-20H2,1-3H3,(H,27,30);1H
InChIKeyXVAGFQLCFQWGDL-UHFFFAOYSA-N
XLogP5.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.06
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride
CID 162673635
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109029533
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8687474
N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 175654262
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
5-(decanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 4546349
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 112984474

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride (CID 162674778) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride is COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(C(C)C)cc2)CC1.Cl.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride?
The InChIKey is XVAGFQLCFQWGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2.ClH/c1-21(2)22-12-14-23(15-13-22)27-26(30)11-5-4-8-16-28-17-19-29(20-18-28)24-9-6-7-10-25(24)31-3;/h6-7,9-10,12-15,21H,4-5,8,11,16-20H2,1-3H3,(H,27,30);1H.
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride?
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride has a molecular weight of 460.06 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride is sourced from PubChem (CID 162674778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).