N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide

C13H27N3O2 — CID 86923511

IUPACN-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(CCOC(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-4-14-13(17)11-16-7-5-15(6-8-16)9-10-18-12(2)3/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyOCMCCXXCXGGUMX-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.17
Rot. Bonds7

About N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide

N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide (PubChem CID 86923511) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
PubChem CID86923511
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(CCOC(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-4-14-13(17)11-16-7-5-15(6-8-16)9-10-18-12(2)3/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyOCMCCXXCXGGUMX-UHFFFAOYSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]acetamide
CID 78849332
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371299
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
2-(aziridin-1-yl)ethyl N-ethylcarbamate
CID 20801404
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
CID 36892657
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497635

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide (CID 86923511) is N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(CCOC(C)C)CC1.
What is the InChIKey of N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide?
The InChIKey is OCMCCXXCXGGUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-14-13(17)11-16-7-5-15(6-8-16)9-10-18-12(2)3/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide?
N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86923511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).