N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide

C18H22N2OS — CID 9302925

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C18H22N2OS/c1-14-8-10-20(11-9-14)16-6-4-15(5-7-16)19-18(21)13-17-3-2-12-22-17/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyADCNLZPLAMNHAM-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.17
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 9302925) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID9302925
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C18H22N2OS/c1-14-8-10-20(11-9-14)16-6-4-15(5-7-16)19-18(21)13-17-3-2-12-22-17/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyADCNLZPLAMNHAM-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112502781
N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112981698
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690935
N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1064756
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 1066480
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide (CID 9302925) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide is CC1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is ADCNLZPLAMNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-8-10-20(11-9-14)16-6-4-15(5-7-16)19-18(21)13-17-3-2-12-22-17/h2-7,12,14H,8-11,13H2,1H3,(H,19,21).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 314.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 9302925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).