tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate

C14H27N3O4 — CID 57493969

IUPACtert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate
SMILESCOCCN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)17-8-6-16(7-9-17)12(18)15(4)10-11-20-5/h6-11H2,1-5H3
InChIKeyHDIQYMCOHWFMMJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.24
Rot. Bonds3

About tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate

tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 57493969) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate
PubChem CID57493969
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nametert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate
SMILESCOCCN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)17-8-6-16(7-9-17)12(18)15(4)10-11-20-5/h6-11H2,1-5H3
InChIKeyHDIQYMCOHWFMMJ-UHFFFAOYSA-N
XLogP1.24
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate (CID 57493969) is tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate is COCCN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is HDIQYMCOHWFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)17-8-6-16(7-9-17)12(18)15(4)10-11-20-5/h6-11H2,1-5H3.
What are the key properties of tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate?
tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methoxyethyl(methyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 57493969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).