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

C23H32Cl2N4O2 — CID 119840173

IUPAC2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
SMILESCC(C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-18(22(24)20-10-6-3-7-11-20)23(29)27-14-12-26(13-15-27)17-21(28)25-16-19-8-4-2-5-9-19;;/h2-11,18,22H,12-17,24H2,1H3,(H,25,28);2*1H
InChIKeyADTFUVXEWQITIW-UHFFFAOYSA-N
MW467.44 g/mol
LogP2.63
Rot. Bonds7

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

2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride (PubChem CID 119840173) has the molecular formula C23H32Cl2N4O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
PubChem CID119840173
Molecular FormulaC23H32Cl2N4O2
Molecular Weight467.44 g/mol
Exact Mass466.19
IUPAC Name2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
SMILESCC(C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-18(22(24)20-10-6-3-7-11-20)23(29)27-14-12-26(13-15-27)17-21(28)25-16-19-8-4-2-5-9-19;;/h2-11,18,22H,12-17,24H2,1H3,(H,25,28);2*1H
InChIKeyADTFUVXEWQITIW-UHFFFAOYSA-N
XLogP2.63
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide
CID 119840848
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836370
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide
CID 119840188
N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55495610
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
3-amino-2-methyl-3-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 119876007
N-benzyl-2-[4-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperazin-1-yl]acetamide
CID 55543585
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
4-(3-amino-2-methyl-3-phenylpropanoyl)-N-ethylpiperazine-1-carboxamide
CID 119695716
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
3-amino-2-methyl-3-phenyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 80549933
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843968

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride?
The IUPAC name of 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride (CID 119840173) is 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride is CC(C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride?
The InChIKey is ADTFUVXEWQITIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.2ClH/c1-18(22(24)20-10-6-3-7-11-20)23(29)27-14-12-26(13-15-27)17-21(28)25-16-19-8-4-2-5-9-19;;/h2-11,18,22H,12-17,24H2,1H3,(H,25,28);2*1H.
What are the key properties of 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride?
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride has a molecular weight of 467.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride is sourced from PubChem (CID 119840173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).