(3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone

C12H17NOS — CID 3497465

IUPAC(3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCC1CC(C)CN(C(=O)c2cccs2)C1
InChIInChI=1S/C12H17NOS/c1-9-6-10(2)8-13(7-9)12(14)11-4-3-5-15-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyOCECQJAGGNFNJC-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.87
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone

(3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 3497465) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone
PubChem CID3497465
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCC1CC(C)CN(C(=O)c2cccs2)C1
InChIInChI=1S/C12H17NOS/c1-9-6-10(2)8-13(7-9)12(14)11-4-3-5-15-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyOCECQJAGGNFNJC-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone (CID 3497465) is (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone is CC1CC(C)CN(C(=O)c2cccs2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is OCECQJAGGNFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-6-10(2)8-13(7-9)12(14)11-4-3-5-15-11/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone?
(3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 223.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 3497465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).