2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide

C20H27N3O2S — CID 171479446

IUPAC2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCOCC(=O)N(CCN1CCN(Cc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C20H27N3O2S/c1-25-17-20(24)23(18-6-3-2-4-7-18)14-13-21-9-11-22(12-10-21)16-19-8-5-15-26-19/h2-8,15H,9-14,16-17H2,1H3
InChIKeyOHMALVSUVSRPAA-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.55
Rot. Bonds8

About 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide

2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 171479446) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
PubChem CID171479446
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCOCC(=O)N(CCN1CCN(Cc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C20H27N3O2S/c1-25-17-20(24)23(18-6-3-2-4-7-18)14-13-21-9-11-22(12-10-21)16-19-8-5-15-26-19/h2-8,15H,9-14,16-17H2,1H3
InChIKeyOHMALVSUVSRPAA-UHFFFAOYSA-N
XLogP2.55
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 78808493
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47535207
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
CID 142235373
3-amino-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 156786663
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
methyl 4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butanoate
CID 110709188
1-(2-bromoethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 80667707
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-methoxy-N-phenylacetamide
CID 137371296
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide (CID 171479446) is 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide is COCC(=O)N(CCN1CCN(Cc2cccs2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is OHMALVSUVSRPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-25-17-20(24)23(18-6-3-2-4-7-18)14-13-21-9-11-22(12-10-21)16-19-8-5-15-26-19/h2-8,15H,9-14,16-17H2,1H3.
What are the key properties of 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide?
2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 171479446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).