N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide

C12H23N3O3 — CID 112603458

IUPACN-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)COC(C)C
InChIInChI=1S/C12H23N3O3/c1-4-14-12(17)10-7-13-5-6-15(10)11(16)8-18-9(2)3/h9-10,13H,4-8H2,1-3H3,(H,14,17)
InChIKeySYCODRRJEHVGSL-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds5

About N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide

N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide (PubChem CID 112603458) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide
PubChem CID112603458
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)COC(C)C
InChIInChI=1S/C12H23N3O3/c1-4-14-12(17)10-7-13-5-6-15(10)11(16)8-18-9(2)3/h9-10,13H,4-8H2,1-3H3,(H,14,17)
InChIKeySYCODRRJEHVGSL-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide (CID 112603458) is N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide is CCNC(=O)C1CNCCN1C(=O)COC(C)C.
What is the InChIKey of N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide?
The InChIKey is SYCODRRJEHVGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-14-12(17)10-7-13-5-6-15(10)11(16)8-18-9(2)3/h9-10,13H,4-8H2,1-3H3,(H,14,17).
What are the key properties of N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide?
N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 112603458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).