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

C25H36ClN3O2 — CID 162666976

IUPAC5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(C(C)C)c2)CC1.Cl
InChIInChI=1S/C25H35N3O2.ClH/c1-20(2)21-9-8-10-22(19-21)26-25(29)13-6-7-14-27-15-17-28(18-16-27)23-11-4-5-12-24(23)30-3;/h4-5,8-12,19-20H,6-7,13-18H2,1-3H3,(H,26,29);1H
InChIKeySMOYHSVPDPATSS-UHFFFAOYSA-N
MW446.04 g/mol
LogP5.17
Rot. Bonds9

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

5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride (PubChem CID 162666976) has the molecular formula C25H36ClN3O2 and a molecular weight of 446.04 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride
PubChem CID162666976
Molecular FormulaC25H36ClN3O2
Molecular Weight446.04 g/mol
Exact Mass445.25
IUPAC Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(C(C)C)c2)CC1.Cl
InChIInChI=1S/C25H35N3O2.ClH/c1-20(2)21-9-8-10-22(19-21)26-25(29)13-6-7-14-27-15-17-28(18-16-27)23-11-4-5-12-24(23)30-3;/h4-5,8-12,19-20H,6-7,13-18H2,1-3H3,(H,26,29);1H
InChIKeySMOYHSVPDPATSS-UHFFFAOYSA-N
XLogP5.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.04
LogP ≤ 55.17
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 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride (CID 162666976) is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride is COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(C(C)C)c2)CC1.Cl.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride?
The InChIKey is SMOYHSVPDPATSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2.ClH/c1-20(2)21-9-8-10-22(19-21)26-25(29)13-6-7-14-27-15-17-28(18-16-27)23-11-4-5-12-24(23)30-3;/h4-5,8-12,19-20H,6-7,13-18H2,1-3H3,(H,26,29);1H.
What are the key properties of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride?
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride has a molecular weight of 446.04 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 162666976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).