4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide

C13H27N3O2 — CID 126752812

IUPAC4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide
SMILESCOCCN(C)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)16-8-6-15(7-9-16)12(17)14(4)10-11-18-5/h6-11H2,1-5H3
InChIKeyGVBNBQRCXSJAIA-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.10
Rot. Bonds3

About 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide

4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide (PubChem CID 126752812) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide
PubChem CID126752812
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide
SMILESCOCCN(C)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)16-8-6-15(7-9-16)12(17)14(4)10-11-18-5/h6-11H2,1-5H3
InChIKeyGVBNBQRCXSJAIA-UHFFFAOYSA-N
XLogP1.10
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide (CID 126752812) is 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide is COCCN(C)C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is GVBNBQRCXSJAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,3)16-8-6-15(7-9-16)12(17)14(4)10-11-18-5/h6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide?
4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 126752812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).