2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C20H27N3O2S — CID 16671279

IUPAC2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc(CN2CCN(CC(=O)NCc3cccs3)[C@@H](C)C2)c1
InChIInChI=1S/C20H27N3O2S/c1-16-13-22(14-17-5-3-6-18(11-17)25-2)8-9-23(16)15-20(24)21-12-19-7-4-10-26-19/h3-7,10-11,16H,8-9,12-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyDZGSHKSONASEDC-INIZCTEOSA-N
MW373.52 g/mol
LogP2.58
Rot. Bonds7

About 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 16671279) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID16671279
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc(CN2CCN(CC(=O)NCc3cccs3)[C@@H](C)C2)c1
InChIInChI=1S/C20H27N3O2S/c1-16-13-22(14-17-5-3-6-18(11-17)25-2)8-9-23(16)15-20(24)21-12-19-7-4-10-26-19/h3-7,10-11,16H,8-9,12-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyDZGSHKSONASEDC-INIZCTEOSA-N
XLogP2.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 16671127
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30959496
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51126982
2-[(3R)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535725
2-[(3S)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535726
2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide
CID 46967219
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 115486170
methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate
CID 129374038
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
3-(3-methoxyphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709205

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 16671279) is 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is COc1cccc(CN2CCN(CC(=O)NCc3cccs3)[C@@H](C)C2)c1.
What is the InChIKey of 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DZGSHKSONASEDC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-16-13-22(14-17-5-3-6-18(11-17)25-2)8-9-23(16)15-20(24)21-12-19-7-4-10-26-19/h3-7,10-11,16H,8-9,12-15H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 373.52 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 16671279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).