N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C24H35N3O2 — CID 113159665

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H35N3O2/c1-19-8-7-11-23(20(19)2)25-14-16-26(17-15-25)24(29)18-27(21(3)28)13-12-22-9-5-4-6-10-22/h7-9,11H,4-6,10,12-18H2,1-3H3
InChIKeyFVMWYPJYKXRMOG-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113159665) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113159665
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H35N3O2/c1-19-8-7-11-23(20(19)2)25-14-16-26(17-15-25)24(29)18-27(21(3)28)13-12-22-9-5-4-6-10-22/h7-9,11H,4-6,10,12-18H2,1-3H3
InChIKeyFVMWYPJYKXRMOG-UHFFFAOYSA-N
XLogP3.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113159653
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
CID 113114978
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159771
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113162197
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120598
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113117312
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 3283433
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113159665) is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)N(CCC1=CCCCC1)CC(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is FVMWYPJYKXRMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-19-8-7-11-23(20(19)2)25-14-16-26(17-15-25)24(29)18-27(21(3)28)13-12-22-9-5-4-6-10-22/h7-9,11H,4-6,10,12-18H2,1-3H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 397.56 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113159665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).