ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate

C18H31N3O4 — CID 113166314

IUPACethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(C(C)=O)C2CCCCCC2)CC1
InChIInChI=1S/C18H31N3O4/c1-3-25-18(24)20-12-10-19(11-13-20)17(23)14-21(15(2)22)16-8-6-4-5-7-9-16/h16H,3-14H2,1-2H3
InChIKeyIUFQMMFZNDEJLD-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.86
Rot. Bonds4

About ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 113166314) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID113166314
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Nameethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(C(C)=O)C2CCCCCC2)CC1
InChIInChI=1S/C18H31N3O4/c1-3-25-18(24)20-12-10-19(11-13-20)17(23)14-21(15(2)22)16-8-6-4-5-7-9-16/h16H,3-14H2,1-2H3
InChIKeyIUFQMMFZNDEJLD-UHFFFAOYSA-N
XLogP1.86
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113159226
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659
ethyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152678
ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122126
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467
ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate
CID 113166709
N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159295
ethyl azacycloundecane-1-carboxylate
CID 67670496

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate (CID 113166314) is ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN(C(C)=O)C2CCCCCC2)CC1.
What is the InChIKey of ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is IUFQMMFZNDEJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-3-25-18(24)20-12-10-19(11-13-20)17(23)14-21(15(2)22)16-8-6-4-5-7-9-16/h16H,3-14H2,1-2H3.
What are the key properties of ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 113166314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).