N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide

C13H20N2OS — CID 71787066

IUPACN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-11(16)14-6-9-15-7-4-12(5-8-15)13-3-2-10-17-13/h2-3,10,12H,4-9H2,1H3,(H,14,16)
InChIKeyIARCERJKNHFTPO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide

N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide (PubChem CID 71787066) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
PubChem CID71787066
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-11(16)14-6-9-15-7-4-12(5-8-15)13-3-2-10-17-13/h2-3,10,12H,4-9H2,1H3,(H,14,16)
InChIKeyIARCERJKNHFTPO-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide (CID 71787066) is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide is CC(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is IARCERJKNHFTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11(16)14-6-9-15-7-4-12(5-8-15)13-3-2-10-17-13/h2-3,10,12H,4-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide?
N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 252.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 71787066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).