N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide

C19H25N3OS — CID 8720543

IUPACN-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C19H25N3OS/c1-15-10-16(2)12-17(11-15)20-19(23)14-22-7-5-21(6-8-22)13-18-4-3-9-24-18/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,20,23)
InChIKeyCECAUKWCGCRBFS-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.12
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 8720543) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID8720543
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C19H25N3OS/c1-15-10-16(2)12-17(11-15)20-19(23)14-22-7-5-21(6-8-22)13-18-4-3-9-24-18/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,20,23)
InChIKeyCECAUKWCGCRBFS-UHFFFAOYSA-N
XLogP3.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16608497
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 24626986
N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720879
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9390810
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
N-[2-(2-methylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8834788
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 30645182
methyl 4-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetyl]amino]butanoate
CID 30965418
(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8834711
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (CID 8720543) is N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)CN2CCN(Cc3cccs3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is CECAUKWCGCRBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15-10-16(2)12-17(11-15)20-19(23)14-22-7-5-21(6-8-22)13-18-4-3-9-24-18/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 343.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8720543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).