2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide

C12H25N3O2 — CID 47014866

IUPAC2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOCCN1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-11(2)13-12(16)10-15-6-4-14(5-7-15)8-9-17-3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyHKEVKZRVNIOBIZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.22
Rot. Bonds6

About 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 47014866) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID47014866
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOCCN1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-11(2)13-12(16)10-15-6-4-14(5-7-15)8-9-17-3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyHKEVKZRVNIOBIZ-UHFFFAOYSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 47014866) is 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide is COCCN1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is HKEVKZRVNIOBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2)13-12(16)10-15-6-4-14(5-7-15)8-9-17-3/h11H,4-10H2,1-3H3,(H,13,16).
What are the key properties of 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 243.35 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 47014866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).