2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

C14H23N3OS — CID 63872915

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC1CN(CC(=O)NC(C)c2cccs2)CC(C)N1
InChIInChI=1S/C14H23N3OS/c1-10-7-17(8-11(2)15-10)9-14(18)16-12(3)13-5-4-6-19-13/h4-6,10-12,15H,7-9H2,1-3H3,(H,16,18)
InChIKeyOSBJFBPBPHSXLV-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.61
Rot. Bonds4

About 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 63872915) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID63872915
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC1CN(CC(=O)NC(C)c2cccs2)CC(C)N1
InChIInChI=1S/C14H23N3OS/c1-10-7-17(8-11(2)15-10)9-14(18)16-12(3)13-5-4-6-19-13/h4-6,10-12,15H,7-9H2,1-3H3,(H,16,18)
InChIKeyOSBJFBPBPHSXLV-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 102683153
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 115647928
2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119923921
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 106672150
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62673320
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 63872915) is 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC1CN(CC(=O)NC(C)c2cccs2)CC(C)N1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is OSBJFBPBPHSXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-7-17(8-11(2)15-10)9-14(18)16-12(3)13-5-4-6-19-13/h4-6,10-12,15H,7-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 63872915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).