2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C26H35N3O — CID 8621771

IUPAC2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C26H35N3O/c1-22(2)25-12-10-24(11-13-25)14-15-27-26(30)21-29-19-17-28(18-20-29)16-6-9-23-7-4-3-5-8-23/h3-13,22H,14-21H2,1-2H3,(H,27,30)/b9-6+
InChIKeyOQBOVMZATHGVJT-RMKNXTFCSA-N
MW405.59 g/mol
LogP3.80
Rot. Bonds9

About 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 8621771) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID8621771
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C26H35N3O/c1-22(2)25-12-10-24(11-13-25)14-15-27-26(30)21-29-19-17-28(18-20-29)16-6-9-23-7-4-3-5-8-23/h3-13,22H,14-21H2,1-2H3,(H,27,30)/b9-6+
InChIKeyOQBOVMZATHGVJT-RMKNXTFCSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108994619
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
2-(3-anilinopyrrolidin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56500528
2-oxo-N-(2-phenylethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985123
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 34423625
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide
CID 42542896
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 9131399
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 35803946
N-benzyl-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]acetamide
CID 126820137
N-[2-(4-fluorophenyl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985311
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544518

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 8621771) is 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is CC(C)c1ccc(CCNC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is OQBOVMZATHGVJT-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H35N3O/c1-22(2)25-12-10-24(11-13-25)14-15-27-26(30)21-29-19-17-28(18-20-29)16-6-9-23-7-4-3-5-8-23/h3-13,22H,14-21H2,1-2H3,(H,27,30)/b9-6+.
What are the key properties of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 405.59 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 8621771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).