N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide

C11H21N3O2 — CID 70312559

IUPACN-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN1CCN(C(C)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-10(15)12(3)4-5-13-6-8-14(9-7-13)11(2)16/h4-9H2,1-3H3
InChIKeyBBOPFXSSXCCSLS-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.37
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide

N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide (PubChem CID 70312559) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide
PubChem CID70312559
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN1CCN(C(C)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-10(15)12(3)4-5-13-6-8-14(9-7-13)11(2)16/h4-9H2,1-3H3
InChIKeyBBOPFXSSXCCSLS-UHFFFAOYSA-N
XLogP-0.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide (CID 70312559) is N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide is CC(=O)N(C)CCN1CCN(C(C)=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide?
The InChIKey is BBOPFXSSXCCSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(15)12(3)4-5-13-6-8-14(9-7-13)11(2)16/h4-9H2,1-3H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide?
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide has a molecular weight of 227.31 g/mol, XLogP of -0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 70312559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).