2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

C15H25N3OS — CID 75858737

IUPAC2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCCN1CCN(C(C)C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C15H25N3OS/c1-3-17-8-10-18(11-9-17)13(2)15(19)16-7-6-14-5-4-12-20-14/h4-5,12-13H,3,6-11H2,1-2H3,(H,16,19)
InChIKeyDBHFOXRXQWYGKT-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.43
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 75858737) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID75858737
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCCN1CCN(C(C)C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C15H25N3OS/c1-3-17-8-10-18(11-9-17)13(2)15(19)16-7-6-14-5-4-12-20-14/h4-5,12-13H,3,6-11H2,1-2H3,(H,16,19)
InChIKeyDBHFOXRXQWYGKT-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
(2S)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8795096
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78815800
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78807578
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751
(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9127313
(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8834711
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 40819018

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 75858737) is 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is CCN1CCN(C(C)C(=O)NCCc2cccs2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is DBHFOXRXQWYGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-17-8-10-18(11-9-17)13(2)15(19)16-7-6-14-5-4-12-20-14/h4-5,12-13H,3,6-11H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 295.45 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 75858737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).