N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide

C18H20N2O2S — CID 17425313

IUPACN-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H20N2O2S/c21-17(12-14-8-11-23-13-14)19-16-7-3-2-6-15(16)18(22)20-9-4-1-5-10-20/h2-3,6-8,11,13H,1,4-5,9-10,12H2,(H,19,21)
InChIKeyDEMAJPHMWVMISD-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.56
Rot. Bonds4

About N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide

N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 17425313) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide
PubChem CID17425313
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H20N2O2S/c21-17(12-14-8-11-23-13-14)19-16-7-3-2-6-15(16)18(22)20-9-4-1-5-10-20/h2-3,6-8,11,13H,1,4-5,9-10,12H2,(H,19,21)
InChIKeyDEMAJPHMWVMISD-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide (CID 17425313) is N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is DEMAJPHMWVMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-17(12-14-8-11-23-13-14)19-16-7-3-2-6-15(16)18(22)20-9-4-1-5-10-20/h2-3,6-8,11,13H,1,4-5,9-10,12H2,(H,19,21).
What are the key properties of N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide?
N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 328.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 17425313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).