2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C12H19N3OS — CID 65448842

IUPAC2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1CN(CC(=O)NCc2cccs2)CCN1
InChIInChI=1S/C12H19N3OS/c1-10-8-15(5-4-13-10)9-12(16)14-7-11-3-2-6-17-11/h2-3,6,10,13H,4-5,7-9H2,1H3,(H,14,16)
InChIKeyYVRREGPZBQSHRD-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.66
Rot. Bonds4

About 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 65448842) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID65448842
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1CN(CC(=O)NCc2cccs2)CCN1
InChIInChI=1S/C12H19N3OS/c1-10-8-15(5-4-13-10)9-12(16)14-7-11-3-2-6-17-11/h2-3,6,10,13H,4-5,7-9H2,1H3,(H,14,16)
InChIKeyYVRREGPZBQSHRD-UHFFFAOYSA-N
XLogP0.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713
N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924667
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924446
2-[(3R)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535725
2-[(3S)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535726
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
2-[(3R)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104975631
2-[(3S)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104977075
2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97186385

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 65448842) is 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is CC1CN(CC(=O)NCc2cccs2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YVRREGPZBQSHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10-8-15(5-4-13-10)9-12(16)14-7-11-3-2-6-17-11/h2-3,6,10,13H,4-5,7-9H2,1H3,(H,14,16).
What are the key properties of 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 65448842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).