4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide

C11H23N3O2 — CID 143084647

IUPAC4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide
SMILESCCCOCCNC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H23N3O2/c1-3-9-16-10-4-12-11(15)14-7-5-13(2)6-8-14/h3-10H2,1-2H3,(H,12,15)
InChIKeyMDYXLGGBRJSNAR-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.37
Rot. Bonds5

About 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide

4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide (PubChem CID 143084647) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide
PubChem CID143084647
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide
SMILESCCCOCCNC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H23N3O2/c1-3-9-16-10-4-12-11(15)14-7-5-13(2)6-8-14/h3-10H2,1-2H3,(H,12,15)
InChIKeyMDYXLGGBRJSNAR-UHFFFAOYSA-N
XLogP0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide (CID 143084647) is 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide is CCCOCCNC(=O)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide?
The InChIKey is MDYXLGGBRJSNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-9-16-10-4-12-11(15)14-7-5-13(2)6-8-14/h3-10H2,1-2H3,(H,12,15).
What are the key properties of 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide?
4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 143084647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).