(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone

C11H15NOS — CID 668781

IUPAC(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H15NOS/c1-9-4-6-12(7-5-9)11(13)10-3-2-8-14-10/h2-3,8-9H,4-7H2,1H3
InChIKeyOXFWLBDOZCXXAU-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.62
Rot. Bonds1

About (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone

(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 668781) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
PubChem CID668781
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H15NOS/c1-9-4-6-12(7-5-9)11(13)10-3-2-8-14-10/h2-3,8-9H,4-7H2,1H3
InChIKeyOXFWLBDOZCXXAU-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone (CID 668781) is (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone is CC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is OXFWLBDOZCXXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9-4-6-12(7-5-9)11(13)10-3-2-8-14-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone?
(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 209.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 668781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).