ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate

C18H27N3O3 — CID 109003865

IUPACethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2c(C)cccc2CC)CC1
InChIInChI=1S/C18H27N3O3/c1-4-15-8-6-7-14(3)17(15)19-13-16(22)20-9-11-21(12-10-20)18(23)24-5-2/h6-8,19H,4-5,9-13H2,1-3H3
InChIKeyFIZDYEDTVNPHSR-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.27
Rot. Bonds5

About ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate (PubChem CID 109003865) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
PubChem CID109003865
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2c(C)cccc2CC)CC1
InChIInChI=1S/C18H27N3O3/c1-4-15-8-6-7-14(3)17(15)19-13-16(22)20-9-11-21(12-10-20)18(23)24-5-2/h6-8,19H,4-5,9-13H2,1-3H3
InChIKeyFIZDYEDTVNPHSR-UHFFFAOYSA-N
XLogP2.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-6-methylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56503227
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 109003276
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate
CID 109003894
ethyl 4-[2-(2-chloro-4,6-dimethylanilino)acetyl]piperazine-1-carboxylate
CID 109003879
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003873
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
ethyl 4-[[3-(2-ethyl-6-methylanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950238

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate (CID 109003865) is ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNc2c(C)cccc2CC)CC1.
What is the InChIKey of ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate?
The InChIKey is FIZDYEDTVNPHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-15-8-6-7-14(3)17(15)19-13-16(22)20-9-11-21(12-10-20)18(23)24-5-2/h6-8,19H,4-5,9-13H2,1-3H3.
What are the key properties of ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 109003865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).