2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide

C15H27N3O — CID 63565557

IUPAC2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
SMILESCN(CCN1CCNCC1)C(=O)CC1=CCCCC1
InChIInChI=1S/C15H27N3O/c1-17(11-12-18-9-7-16-8-10-18)15(19)13-14-5-3-2-4-6-14/h5,16H,2-4,6-13H2,1H3
InChIKeyVLHGVIADAVXZJU-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.24
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide

2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 63565557) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID63565557
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
SMILESCN(CCN1CCNCC1)C(=O)CC1=CCCCC1
InChIInChI=1S/C15H27N3O/c1-17(11-12-18-9-7-16-8-10-18)15(19)13-14-5-3-2-4-6-14/h5,16H,2-4,6-13H2,1H3
InChIKeyVLHGVIADAVXZJU-UHFFFAOYSA-N
XLogP1.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 63265575
2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid
CID 63563829
2-(cyclohexen-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 63564422
2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
CID 25384161
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide
CID 111912368
2-(cyclohexen-1-yl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79721199
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
CID 63265704
N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63265752

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide (CID 63565557) is 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide is CN(CCN1CCNCC1)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is VLHGVIADAVXZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17(11-12-18-9-7-16-8-10-18)15(19)13-14-5-3-2-4-6-14/h5,16H,2-4,6-13H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide?
2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 265.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 63565557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).