2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride

C16H26Cl2N4O2 — CID 119843992

IUPAC2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)CNc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O2.2ClH/c1-2-17-15(21)13-19-8-10-20(11-9-19)16(22)12-18-14-6-4-3-5-7-14;;/h3-7,18H,2,8-13H2,1H3,(H,17,21);2*1H
InChIKeyJJEMNZBONOMWQK-UHFFFAOYSA-N
MW377.32 g/mol
LogP1.22
Rot. Bonds6

About 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride

2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride (PubChem CID 119843992) has the molecular formula C16H26Cl2N4O2 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
PubChem CID119843992
Molecular FormulaC16H26Cl2N4O2
Molecular Weight377.32 g/mol
Exact Mass376.14
IUPAC Name2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)CNc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O2.2ClH/c1-2-17-15(21)13-19-8-10-20(11-9-19)16(22)12-18-14-6-4-3-5-7-14;;/h3-7,18H,2,8-13H2,1H3,(H,17,21);2*1H
InChIKeyJJEMNZBONOMWQK-UHFFFAOYSA-N
XLogP1.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119952990
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
2-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843978
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843968
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
benzyl 4,7,10-tris[2-(ethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 58987158
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide
CID 55566914
N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide
CID 78924430
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
CID 119794892

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The IUPAC name of 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride (CID 119843992) is 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride is CCNC(=O)CN1CCN(C(=O)CNc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The InChIKey is JJEMNZBONOMWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.2ClH/c1-2-17-15(21)13-19-8-10-20(11-9-19)16(22)12-18-14-6-4-3-5-7-14;;/h3-7,18H,2,8-13H2,1H3,(H,17,21);2*1H.
What are the key properties of 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride has a molecular weight of 377.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride is sourced from PubChem (CID 119843992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).