N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide

C24H34N4O3 — CID 9127138

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C24H34N4O3/c29-23(26-24(30)25-10-8-19-4-2-1-3-5-19)18-28-13-11-27(12-14-28)17-20-6-7-22-21(16-20)9-15-31-22/h4,6-7,16H,1-3,5,8-15,17-18H2,(H2,25,26,29,30)
InChIKeyNYXCDACDSQGNGE-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 9127138) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
PubChem CID9127138
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C24H34N4O3/c29-23(26-24(30)25-10-8-19-4-2-1-3-5-19)18-28-13-11-27(12-14-28)17-20-6-7-22-21(16-20)9-15-31-22/h4,6-7,16H,1-3,5,8-15,17-18H2,(H2,25,26,29,30)
InChIKeyNYXCDACDSQGNGE-UHFFFAOYSA-N
XLogP2.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylcarbamoyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 9126852
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 31000776
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 9126673
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704050
2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylacetamide
CID 9127399
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 17148746
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903400
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9126457
1-[2-(cyclohexen-1-yl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312311
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26345003
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9126664
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide
CID 17148751

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide (CID 9127138) is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)NC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is NYXCDACDSQGNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c29-23(26-24(30)25-10-8-19-4-2-1-3-5-19)18-28-13-11-27(12-14-28)17-20-6-7-22-21(16-20)9-15-31-22/h4,6-7,16H,1-3,5,8-15,17-18H2,(H2,25,26,29,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 426.56 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9127138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).