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

C18H23N3OS — CID 78808493

IUPACN-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(Cc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C18H23N3OS/c1-19(16-6-3-2-4-7-16)18(22)15-21-11-9-20(10-12-21)14-17-8-5-13-23-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyXBNKKWDXSHZBOL-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.53
Rot. Bonds5

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

N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 78808493) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID78808493
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(Cc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C18H23N3OS/c1-19(16-6-3-2-4-7-16)18(22)15-21-11-9-20(10-12-21)14-17-8-5-13-23-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyXBNKKWDXSHZBOL-UHFFFAOYSA-N
XLogP2.53
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 171479446
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
2-(4-benzhydrylpiperazin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17496462
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
CID 12734396
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (CID 78808493) is N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is CN(C(=O)CN1CCN(Cc2cccs2)CC1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is XBNKKWDXSHZBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-19(16-6-3-2-4-7-16)18(22)15-21-11-9-20(10-12-21)14-17-8-5-13-23-17/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78808493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).