2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride

C20H25Cl3N4O2 — CID 119833652

IUPAC2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H23ClN4O2.2ClH/c21-16-8-4-5-9-17(16)23-18(26)14-24-10-12-25(13-11-24)20(27)19(22)15-6-2-1-3-7-15;;/h1-9,19H,10-14,22H2,(H,23,26);2*1H
InChIKeyBXTAWQYBQIYULI-UHFFFAOYSA-N
MW459.81 g/mol
LogP2.97
Rot. Bonds5

About 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride

2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride (PubChem CID 119833652) has the molecular formula C20H25Cl3N4O2 and a molecular weight of 459.81 g/mol. Its IUPAC name is 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
PubChem CID119833652
Molecular FormulaC20H25Cl3N4O2
Molecular Weight459.81 g/mol
Exact Mass458.10
IUPAC Name2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H23ClN4O2.2ClH/c21-16-8-4-5-9-17(16)23-18(26)14-24-10-12-25(13-11-24)20(27)19(22)15-6-2-1-3-7-15;;/h1-9,19H,10-14,22H2,(H,23,26);2*1H
InChIKeyBXTAWQYBQIYULI-UHFFFAOYSA-N
XLogP2.97
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.81
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833508
N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9020714
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
2-[4-[(2S)-2-(benzenesulfonamido)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55943067
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 119837821
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The IUPAC name of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride (CID 119833652) is 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The InChIKey is BXTAWQYBQIYULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2.2ClH/c21-16-8-4-5-9-17(16)23-18(26)14-24-10-12-25(13-11-24)20(27)19(22)15-6-2-1-3-7-15;;/h1-9,19H,10-14,22H2,(H,23,26);2*1H.
What are the key properties of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride has a molecular weight of 459.81 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride is sourced from PubChem (CID 119833652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).