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

C27H40ClN3O2 — CID 162673635

IUPACN-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride
SMILESCCC(C)c1ccc(NC(=O)CCCCCN2CCN(c3ccccc3OC)CC2)cc1.Cl
InChIInChI=1S/C27H39N3O2.ClH/c1-4-22(2)23-13-15-24(16-14-23)28-27(31)12-6-5-9-17-29-18-20-30(21-19-29)25-10-7-8-11-26(25)32-3;/h7-8,10-11,13-16,22H,4-6,9,12,17-21H2,1-3H3,(H,28,31);1H
InChIKeyHDPUDIPOIFUECM-UHFFFAOYSA-N
MW474.09 g/mol
LogP5.95
Rot. Bonds11

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

N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride (PubChem CID 162673635) has the molecular formula C27H40ClN3O2 and a molecular weight of 474.09 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride
PubChem CID162673635
Molecular FormulaC27H40ClN3O2
Molecular Weight474.09 g/mol
Exact Mass473.28
IUPAC NameN-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride
SMILESCCC(C)c1ccc(NC(=O)CCCCCN2CCN(c3ccccc3OC)CC2)cc1.Cl
InChIInChI=1S/C27H39N3O2.ClH/c1-4-22(2)23-13-15-24(16-14-23)28-27(31)12-6-5-9-17-29-18-20-30(21-19-29)25-10-7-8-11-26(25)32-3;/h7-8,10-11,13-16,22H,4-6,9,12,17-21H2,1-3H3,(H,28,31);1H
InChIKeyHDPUDIPOIFUECM-UHFFFAOYSA-N
XLogP5.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.09
LogP ≤ 55.95
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

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109029533
N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
5-(decanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 4546349
N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 175654262
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 112984474
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
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
CID 3975573
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]hexanamide
CID 98394961

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride?
The IUPAC name of N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride (CID 162673635) is N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride?
The canonical SMILES for N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride is CCC(C)c1ccc(NC(=O)CCCCCN2CCN(c3ccccc3OC)CC2)cc1.Cl.
What is the InChIKey of N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride?
The InChIKey is HDPUDIPOIFUECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2.ClH/c1-4-22(2)23-13-15-24(16-14-23)28-27(31)12-6-5-9-17-29-18-20-30(21-19-29)25-10-7-8-11-26(25)32-3;/h7-8,10-11,13-16,22H,4-6,9,12,17-21H2,1-3H3,(H,28,31);1H.
What are the key properties of N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride?
N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride has a molecular weight of 474.09 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride is sourced from PubChem (CID 162673635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).