4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide

C14H21N3O2S — CID 77082456

IUPAC4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(=O)c1cc(CN2CCN(C(=O)N(C)C)CC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-11(18)13-8-12(10-20-13)9-16-4-6-17(7-5-16)14(19)15(2)3/h8,10H,4-7,9H2,1-3H3
InChIKeyUVMXRRHLALMELB-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.75
Rot. Bonds3

About 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide

4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 77082456) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID77082456
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(=O)c1cc(CN2CCN(C(=O)N(C)C)CC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-11(18)13-8-12(10-20-13)9-16-4-6-17(7-5-16)14(19)15(2)3/h8,10H,4-7,9H2,1-3H3
InChIKeyUVMXRRHLALMELB-UHFFFAOYSA-N
XLogP1.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[(6S)-4-acetyl-6-hydroxy-1,4-diazepan-1-yl]methyl]thiophen-2-yl]ethanone
CID 97128212
1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone
CID 74231419
1-[4-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 91837531
1-[4-[[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 99932555
1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione
CID 872403
1-[4-[[4-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methyl]thiophen-2-yl]ethanone
CID 133119698
1-[4-[[(3R,4S)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 70722838
1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 74231673
1-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 26319393
1-[4-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 92770234
1-[4-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 72868869
1-[4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 74231000

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (CID 77082456) is 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is CC(=O)c1cc(CN2CCN(C(=O)N(C)C)CC2)cs1.
What is the InChIKey of 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is UVMXRRHLALMELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11(18)13-8-12(10-20-13)9-16-4-6-17(7-5-16)14(19)15(2)3/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 77082456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).