N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride

C21H35Cl2N5O2 — CID 120982304

IUPACN-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCc1ccccc1NC(=O)CN1CCN(CCC(=O)N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C21H33N5O2.2ClH/c1-2-18-5-3-4-6-19(18)23-20(27)17-25-15-13-24(14-16-25)10-7-21(28)26-11-8-22-9-12-26;;/h3-6,22H,2,7-17H2,1H3,(H,23,27);2*1H
InChIKeyRTBNVRMOHLQUGQ-UHFFFAOYSA-N
MW460.45 g/mol
LogP1.47
Rot. Bonds7

About N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride

N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 120982304) has the molecular formula C21H35Cl2N5O2 and a molecular weight of 460.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID120982304
Molecular FormulaC21H35Cl2N5O2
Molecular Weight460.45 g/mol
Exact Mass459.22
IUPAC NameN-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCc1ccccc1NC(=O)CN1CCN(CCC(=O)N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C21H33N5O2.2ClH/c1-2-18-5-3-4-6-19(18)23-20(27)17-25-15-13-24(14-16-25)10-7-21(28)26-11-8-22-9-12-26;;/h3-6,22H,2,7-17H2,1H3,(H,23,27);2*1H
InChIKeyRTBNVRMOHLQUGQ-UHFFFAOYSA-N
XLogP1.47
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60522003
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CID 120703347
N-(2,6-dimethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide
CID 120982303
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39439879
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55507108
N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
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N-(2-ethylphenyl)-2-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 24547654
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2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride (CID 120982304) is N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride is CCc1ccccc1NC(=O)CN1CCN(CCC(=O)N2CCNCC2)CC1.Cl.Cl.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is RTBNVRMOHLQUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2.2ClH/c1-2-18-5-3-4-6-19(18)23-20(27)17-25-15-13-24(14-16-25)10-7-21(28)26-11-8-22-9-12-26;;/h3-6,22H,2,7-17H2,1H3,(H,23,27);2*1H.
What are the key properties of N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 460.45 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120982304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).