N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide

C19H25N3O2S+2 — CID 8720588

IUPACN-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C[NH+]2CC[NH+](Cc3cccs3)CC2)cc1
InChIInChI=1S/C19H23N3O2S/c1-15(23)16-4-6-17(7-5-16)20-19(24)14-22-10-8-21(9-11-22)13-18-3-2-12-25-18/h2-7,12H,8-11,13-14H2,1H3,(H,20,24)/p+2
InChIKeyRIUYHCGNBOQUPI-UHFFFAOYSA-P
MW359.50 g/mol
LogP-0.13
Rot. Bonds6

About N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide

N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8720588) has the molecular formula C19H25N3O2S+2 and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
PubChem CID8720588
Molecular FormulaC19H25N3O2S+2
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C[NH+]2CC[NH+](Cc3cccs3)CC2)cc1
InChIInChI=1S/C19H23N3O2S/c1-15(23)16-4-6-17(7-5-16)20-19(24)14-22-10-8-21(9-11-22)13-18-3-2-12-25-18/h2-7,12H,8-11,13-14H2,1H3,(H,20,24)/p+2
InChIKeyRIUYHCGNBOQUPI-UHFFFAOYSA-P
XLogP-0.13
TPSA55.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720462
2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8720454
N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
CID 8834778
N-(4-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7436916
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8834872
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
CID 4296629
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide
CID 7435662
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8902431
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720792
ethyl-[2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8769794

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide (CID 8720588) is N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide is CC(=O)c1ccc(NC(=O)C[NH+]2CC[NH+](Cc3cccs3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is RIUYHCGNBOQUPI-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H23N3O2S/c1-15(23)16-4-6-17(7-5-16)20-19(24)14-22-10-8-21(9-11-22)13-18-3-2-12-25-18/h2-7,12H,8-11,13-14H2,1H3,(H,20,24)/p+2.
What are the key properties of N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8720588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).