2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

C13H21N3OS — CID 62673320

IUPAC2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCNCC1C)c1cccs1
InChIInChI=1S/C13H21N3OS/c1-10-8-14-5-6-16(10)9-13(17)15-11(2)12-4-3-7-18-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyJTLZLMJXSBMKFQ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.22
Rot. Bonds4

About 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 62673320) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID62673320
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCNCC1C)c1cccs1
InChIInChI=1S/C13H21N3OS/c1-10-8-14-5-6-16(10)9-13(17)15-11(2)12-4-3-7-18-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyJTLZLMJXSBMKFQ-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
CID 82756313
2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone
CID 97163371
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 103441573
2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 122137345
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 119933460
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119928547
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 62673320) is 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN1CCNCC1C)c1cccs1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is JTLZLMJXSBMKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-8-14-5-6-16(10)9-13(17)15-11(2)12-4-3-7-18-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 62673320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).