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

C23H31N3O2 — CID 108984167

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(NCCC1=CCCCC1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c27-22(24-14-13-21-10-5-2-6-11-21)23(28)26-18-16-25(17-19-26)15-7-12-20-8-3-1-4-9-20/h1,3-4,7-10,12H,2,5-6,11,13-19H2,(H,24,27)/b12-7+
InChIKeyBWHWMDRDAZJIJF-KPKJPENVSA-N
MW381.52 g/mol
LogP2.85
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 108984167) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID108984167
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(NCCC1=CCCCC1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c27-22(24-14-13-21-10-5-2-6-11-21)23(28)26-18-16-25(17-19-26)15-7-12-20-8-3-1-4-9-20/h1,3-4,7-10,12H,2,5-6,11,13-19H2,(H,24,27)/b12-7+
InChIKeyBWHWMDRDAZJIJF-KPKJPENVSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(2-phenylethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985123
N-[2-(4-fluorophenyl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985311
N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45171503
N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 55352300
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108983973
N-[(4-methylphenyl)methyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984831
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108984156
N-tert-butyl-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108986110
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
N-(2-ethylphenyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108986132
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 108984167) is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is O=C(NCCC1=CCCCC1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is BWHWMDRDAZJIJF-KPKJPENVSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-22(24-14-13-21-10-5-2-6-11-21)23(28)26-18-16-25(17-19-26)15-7-12-20-8-3-1-4-9-20/h1,3-4,7-10,12H,2,5-6,11,13-19H2,(H,24,27)/b12-7+.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 108984167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).