N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide

C13H21N3OS — CID 60939844

IUPACN-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)CN1CCNCC1
InChIInChI=1S/C13H21N3OS/c1-2-16(10-12-4-3-9-18-12)13(17)11-15-7-5-14-6-8-15/h3-4,9,14H,2,5-8,10-11H2,1H3
InChIKeyDEXWUJRUVIJASM-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.00
Rot. Bonds5

About N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide

N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 60939844) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID60939844
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)CN1CCNCC1
InChIInChI=1S/C13H21N3OS/c1-2-16(10-12-4-3-9-18-12)13(17)11-15-7-5-14-6-8-15/h3-4,9,14H,2,5-8,10-11H2,1H3
InChIKeyDEXWUJRUVIJASM-UHFFFAOYSA-N
XLogP1.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
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
N-ethyl-2-morpholin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 66427854
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 115578683
2-(2-methylpiperazin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 62674229
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
2-(1,4-diazepan-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62833124
1-(thiophen-2-ylmethyl)piperazine
CID 566208

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide (CID 60939844) is N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)CN1CCNCC1.
What is the InChIKey of N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DEXWUJRUVIJASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-16(10-12-4-3-9-18-12)13(17)11-15-7-5-14-6-8-15/h3-4,9,14H,2,5-8,10-11H2,1H3.
What are the key properties of N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide?
N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 60939844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).