2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H25N3O2S — CID 30733019

IUPAC2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NCc3cccs3)CC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-24-17-6-4-16(5-7-17)14-21-8-10-22(11-9-21)15-19(23)20-13-18-3-2-12-25-18/h2-7,12H,8-11,13-15H2,1H3,(H,20,23)
InChIKeyCUDQKOVIEYMVHI-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.19
Rot. Bonds7

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

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 30733019) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID30733019
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NCc3cccs3)CC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-24-17-6-4-16(5-7-17)14-21-8-10-22(11-9-21)15-19(23)20-13-18-3-2-12-25-18/h2-7,12H,8-11,13-15H2,1H3,(H,20,23)
InChIKeyCUDQKOVIEYMVHI-UHFFFAOYSA-N
XLogP2.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51126982
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30959496
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9262183
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 87013977
2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 16671279
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9130348
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498283
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30746228
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30890859
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 30733019) is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(CN2CCN(CC(=O)NCc3cccs3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CUDQKOVIEYMVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-24-17-6-4-16(5-7-17)14-21-8-10-22(11-9-21)15-19(23)20-13-18-3-2-12-25-18/h2-7,12H,8-11,13-15H2,1H3,(H,20,23).
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 359.50 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 30733019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).