2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride

C17H28Cl2N4O2 — CID 119952990

IUPAC2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)CC(N)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-2-19-16(22)13-20-8-10-21(11-9-20)17(23)12-15(18)14-6-4-3-5-7-14;;/h3-7,15H,2,8-13,18H2,1H3,(H,19,22);2*1H
InChIKeyIFSZXBCKADFPRQ-UHFFFAOYSA-N
MW391.34 g/mol
LogP1.20
Rot. Bonds6

About 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride

2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride (PubChem CID 119952990) has the molecular formula C17H28Cl2N4O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
PubChem CID119952990
Molecular FormulaC17H28Cl2N4O2
Molecular Weight391.34 g/mol
Exact Mass390.16
IUPAC Name2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
SMILESCCNC(=O)CN1CCN(C(=O)CC(N)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-2-19-16(22)13-20-8-10-21(11-9-20)17(23)12-15(18)14-6-4-3-5-7-14;;/h3-7,15H,2,8-13,18H2,1H3,(H,19,22);2*1H
InChIKeyIFSZXBCKADFPRQ-UHFFFAOYSA-N
XLogP1.20
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843968
2-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843978
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
(3R)-3-amino-1-[4-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 124694201
2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide
CID 120872775
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
3-amino-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119952742
benzyl 4,7,10-tris[2-(ethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 58987158

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The IUPAC name of 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride (CID 119952990) is 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride is CCNC(=O)CN1CCN(C(=O)CC(N)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
The InChIKey is IFSZXBCKADFPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.2ClH/c1-2-19-16(22)13-20-8-10-21(11-9-20)17(23)12-15(18)14-6-4-3-5-7-14;;/h3-7,15H,2,8-13,18H2,1H3,(H,19,22);2*1H.
What are the key properties of 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride?
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride has a molecular weight of 391.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride is sourced from PubChem (CID 119952990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).