2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide

C21H26N2O2S — CID 86284843

IUPAC2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)NCc2ccc(N3CCCC(C)C3)cc2)cs1
InChIInChI=1S/C21H26N2O2S/c1-15-4-3-9-23(13-15)19-7-5-17(6-8-19)12-22-21(25)11-18-10-20(16(2)24)26-14-18/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,22,25)
InChIKeyDSLILLNALGUWLT-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.05
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide

2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide (PubChem CID 86284843) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
PubChem CID86284843
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)NCc2ccc(N3CCCC(C)C3)cc2)cs1
InChIInChI=1S/C21H26N2O2S/c1-15-4-3-9-23(13-15)19-7-5-17(6-8-19)12-22-21(25)11-18-10-20(16(2)24)26-14-18/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,22,25)
InChIKeyDSLILLNALGUWLT-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 73253664
2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 100637147
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
1-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-3-phenylurea
CID 56923040
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 43898689
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 43893722
2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 125167855
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190114
4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
CID 133160362
2-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125044027
2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide (CID 86284843) is 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide is CC(=O)c1cc(CC(=O)NCc2ccc(N3CCCC(C)C3)cc2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide?
The InChIKey is DSLILLNALGUWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-4-3-9-23(13-15)19-7-5-17(6-8-19)12-22-21(25)11-18-10-20(16(2)24)26-14-18/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 370.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 86284843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).