2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide

C16H27N3OS — CID 36799965

IUPAC2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCCN1CCN(CC(=O)N[C@H](c2cccs2)C(C)C)CC1
InChIInChI=1S/C16H27N3OS/c1-4-18-7-9-19(10-8-18)12-15(20)17-16(13(2)3)14-6-5-11-21-14/h5-6,11,13,16H,4,7-10,12H2,1-3H3,(H,17,20)/t16-/m0/s1
InChIKeyZZQUZIOUHQNTNY-INIZCTEOSA-N
MW309.48 g/mol
LogP2.20
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide (PubChem CID 36799965) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
PubChem CID36799965
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCCN1CCN(CC(=O)N[C@H](c2cccs2)C(C)C)CC1
InChIInChI=1S/C16H27N3OS/c1-4-18-7-9-19(10-8-18)12-15(20)17-16(13(2)3)14-6-5-11-21-14/h5-6,11,13,16H,4,7-10,12H2,1-3H3,(H,17,20)/t16-/m0/s1
InChIKeyZZQUZIOUHQNTNY-INIZCTEOSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 106672150
2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62656121
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24566759
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678
2-(3-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62656575
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 31735919
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 92665868
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide (CID 36799965) is 2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide is CCN1CCN(CC(=O)N[C@H](c2cccs2)C(C)C)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is ZZQUZIOUHQNTNY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-18-7-9-19(10-8-18)12-15(20)17-16(13(2)3)14-6-5-11-21-14/h5-6,11,13,16H,4,7-10,12H2,1-3H3,(H,17,20)/t16-/m0/s1.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 309.48 g/mol, XLogP of 2.20, 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-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 36799965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).