N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide

C20H25N3O2S — CID 42931938

IUPACN-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C)CC1c1ccccc1)c1cccs1
InChIInChI=1S/C20H25N3O2S/c1-15(24)21-17(19-9-6-12-26-19)13-20(25)23-11-10-22(2)14-18(23)16-7-4-3-5-8-16/h3-9,12,17-18H,10-11,13-14H2,1-2H3,(H,21,24)
InChIKeyYQDZOADGLXLIGF-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.83
Rot. Bonds5

About N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide

N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide (PubChem CID 42931938) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
PubChem CID42931938
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C)CC1c1ccccc1)c1cccs1
InChIInChI=1S/C20H25N3O2S/c1-15(24)21-17(19-9-6-12-26-19)13-20(25)23-11-10-22(2)14-18(23)16-7-4-3-5-8-16/h3-9,12,17-18H,10-11,13-14H2,1-2H3,(H,21,24)
InChIKeyYQDZOADGLXLIGF-UHFFFAOYSA-N
XLogP2.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 46957784
N-[1-(4-chlorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 42931935
N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
CID 95124338
N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 95569624
N-[(1R)-3-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 100905520
N-[(2R)-4-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 124816393
[(1R)-1-(2-chlorophenyl)-3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]urea
CID 98684646
N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 120802620
N-[(1R)-3-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 98752356
N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 94017783
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43422177
N-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 63079022

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide (CID 42931938) is N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide is CC(=O)NC(CC(=O)N1CCN(C)CC1c1ccccc1)c1cccs1.
What is the InChIKey of N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is YQDZOADGLXLIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15(24)21-17(19-9-6-12-26-19)13-20(25)23-11-10-22(2)14-18(23)16-7-4-3-5-8-16/h3-9,12,17-18H,10-11,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 42931938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).