N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride

C26H38ClN3O2 — CID 162666793

IUPACN-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(C(C)(C)C)c2)CC1.Cl
InChIInChI=1S/C26H37N3O2.ClH/c1-26(2,3)21-10-9-11-22(20-21)27-25(30)14-7-8-15-28-16-18-29(19-17-28)23-12-5-6-13-24(23)31-4;/h5-6,9-13,20H,7-8,14-19H2,1-4H3,(H,27,30);1H
InChIKeyXUJYAEADYYOKAA-UHFFFAOYSA-N
MW460.06 g/mol
LogP5.35
Rot. Bonds8

About N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride

N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride (PubChem CID 162666793) has the molecular formula C26H38ClN3O2 and a molecular weight of 460.06 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride
PubChem CID162666793
Molecular FormulaC26H38ClN3O2
Molecular Weight460.06 g/mol
Exact Mass459.27
IUPAC NameN-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(C(C)(C)C)c2)CC1.Cl
InChIInChI=1S/C26H37N3O2.ClH/c1-26(2,3)21-10-9-11-22(20-21)27-25(30)14-7-8-15-28-16-18-29(19-17-28)23-12-5-6-13-24(23)31-4;/h5-6,9-13,20H,7-8,14-19H2,1-4H3,(H,27,30);1H
InChIKeyXUJYAEADYYOKAA-UHFFFAOYSA-N
XLogP5.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.06
LogP ≤ 55.35
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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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride?
The IUPAC name of N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride (CID 162666793) is N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride.
What is the SMILES notation for N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride?
The canonical SMILES for N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride is COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(C(C)(C)C)c2)CC1.Cl.
What is the InChIKey of N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride?
The InChIKey is XUJYAEADYYOKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2.ClH/c1-26(2,3)21-10-9-11-22(20-21)27-25(30)14-7-8-15-28-16-18-29(19-17-28)23-12-5-6-13-24(23)31-4;/h5-6,9-13,20H,7-8,14-19H2,1-4H3,(H,27,30);1H.
What are the key properties of N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride?
N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride has a molecular weight of 460.06 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride is sourced from PubChem (CID 162666793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).