2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride

C24H32ClN3O — CID 6603387

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H31N3O.ClH/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20;/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,25,28);1H
InChIKeyYRQVEUIYULFGLZ-UHFFFAOYSA-N
MW413.99 g/mol
LogP4.66
Rot. Bonds5

About 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride

2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride (PubChem CID 6603387) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride
PubChem CID6603387
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H31N3O.ClH/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20;/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,25,28);1H
InChIKeyYRQVEUIYULFGLZ-UHFFFAOYSA-N
XLogP4.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride (CID 6603387) is 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride is Cl.O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride?
The InChIKey is YRQVEUIYULFGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O.ClH/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20;/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,25,28);1H.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride?
2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride has a molecular weight of 413.99 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 6603387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).