3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide

C16H27N3OS — CID 71866753

IUPAC3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide
SMILESCCN1CCN(CCC(=O)NC(C)(C)c2cccs2)CC1
InChIInChI=1S/C16H27N3OS/c1-4-18-9-11-19(12-10-18)8-7-15(20)17-16(2,3)14-6-5-13-21-14/h5-6,13H,4,7-12H2,1-3H3,(H,17,20)
InChIKeyCPNWBYUFRAWCIE-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.13
Rot. Bonds6

About 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide

3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide (PubChem CID 71866753) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide
PubChem CID71866753
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide
SMILESCCN1CCN(CCC(=O)NC(C)(C)c2cccs2)CC1
InChIInChI=1S/C16H27N3OS/c1-4-18-9-11-19(12-10-18)8-7-15(20)17-16(2,3)14-6-5-13-21-14/h5-6,13H,4,7-12H2,1-3H3,(H,17,20)
InChIKeyCPNWBYUFRAWCIE-UHFFFAOYSA-N
XLogP2.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870552
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
1,1-dimethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870551
2-(4-fluorophenyl)-N-(2-thiophen-2-ylpropan-2-yl)acetamide
CID 110870545
(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide
CID 119325785
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 36799965
N-(2-isoquinolin-1-ylpropan-2-yl)-3-pyrrolidin-1-ylpropanamide
CID 166071994
(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)propanamide
CID 119325779
3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 109017626
N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide
CID 801818

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide (CID 71866753) is 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide is CCN1CCN(CCC(=O)NC(C)(C)c2cccs2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide?
The InChIKey is CPNWBYUFRAWCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-18-9-11-19(12-10-18)8-7-15(20)17-16(2,3)14-6-5-13-21-14/h5-6,13H,4,7-12H2,1-3H3,(H,17,20).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide?
3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide has a molecular weight of 309.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide is sourced from PubChem (CID 71866753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).