2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide

C14H23N3OS — CID 64980594

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC1CN(CC(=O)NCCc2cccs2)C(C)CN1
InChIInChI=1S/C14H23N3OS/c1-11-9-17(12(2)8-16-11)10-14(18)15-6-5-13-4-3-7-19-13/h3-4,7,11-12,16H,5-6,8-10H2,1-2H3,(H,15,18)
InChIKeyFYFVVEPTOZNHJZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.09
Rot. Bonds5

About 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide

2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 64980594) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID64980594
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC1CN(CC(=O)NCCc2cccs2)C(C)CN1
InChIInChI=1S/C14H23N3OS/c1-11-9-17(12(2)8-16-11)10-14(18)15-6-5-13-4-3-7-19-13/h3-4,7,11-12,16H,5-6,8-10H2,1-2H3,(H,15,18)
InChIKeyFYFVVEPTOZNHJZ-UHFFFAOYSA-N
XLogP1.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
CID 64980464
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylpiperazin-1-yl)acetamide
CID 64980569
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
methyl 4-[[2-(2,5-dimethylpiperazin-1-yl)acetyl]amino]butanoate
CID 64980819
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516865
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 95342533
2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
CID 64980630
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
2-(2,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64980273
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 51535849

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 64980594) is 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide is CC1CN(CC(=O)NCCc2cccs2)C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is FYFVVEPTOZNHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11-9-17(12(2)8-16-11)10-14(18)15-6-5-13-4-3-7-19-13/h3-4,7,11-12,16H,5-6,8-10H2,1-2H3,(H,15,18).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 64980594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).