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

C12H25N3O2 — CID 126752811

IUPAC4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
SMILESCN(CCO)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)15-7-5-14(6-8-15)11(17)13(4)9-10-16/h16H,5-10H2,1-4H3
InChIKeySKQWIPCTGTXWQB-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.45
Rot. Bonds2

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

4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide (PubChem CID 126752811) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
PubChem CID126752811
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
SMILESCN(CCO)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)15-7-5-14(6-8-15)11(17)13(4)9-10-16/h16H,5-10H2,1-4H3
InChIKeySKQWIPCTGTXWQB-UHFFFAOYSA-N
XLogP0.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide (CID 126752811) is 4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide is CN(CCO)C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is SKQWIPCTGTXWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)15-7-5-14(6-8-15)11(17)13(4)9-10-16/h16H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 126752811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).