N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

C22H32N4O3 — CID 8687337

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NC(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C22H32N4O3/c1-29-20-10-6-5-9-19(20)26-15-13-25(14-16-26)17-21(27)24-22(28)23-12-11-18-7-3-2-4-8-18/h5-7,9-10H,2-4,8,11-17H2,1H3,(H2,23,24,27,28)
InChIKeyJUDAIZIUEBRJSR-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8687337) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID8687337
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NC(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C22H32N4O3/c1-29-20-10-6-5-9-19(20)26-15-13-25(14-16-26)17-21(27)24-22(28)23-12-11-18-7-3-2-4-8-18/h5-7,9-10H,2-4,8,11-17H2,1H3,(H2,23,24,27,28)
InChIKeyJUDAIZIUEBRJSR-UHFFFAOYSA-N
XLogP2.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.53
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-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704050
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26551560
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104853
N-(2-acetamidoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 36845006
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8703770
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084867
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582796
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903400
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113104852
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9026865

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 8687337) is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccccc1N1CCN(CC(=O)NC(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is JUDAIZIUEBRJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-29-20-10-6-5-9-19(20)26-15-13-25(14-16-26)17-21(27)24-22(28)23-12-11-18-7-3-2-4-8-18/h5-7,9-10H,2-4,8,11-17H2,1H3,(H2,23,24,27,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 2.53, 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-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8687337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).