1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone

C12H18N2OS — CID 43224260

IUPAC1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C12H18N2OS/c1-10(15)14-5-2-12(3-6-14)13-8-11-4-7-16-9-11/h4,7,9,12-13H,2-3,5-6,8H2,1H3
InChIKeyRIHGOOMSHBTLPD-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.85
Rot. Bonds3

About 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone

1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 43224260) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID43224260
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C12H18N2OS/c1-10(15)14-5-2-12(3-6-14)13-8-11-4-7-16-9-11/h4,7,9,12-13H,2-3,5-6,8H2,1H3
InChIKeyRIHGOOMSHBTLPD-UHFFFAOYSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone (CID 43224260) is 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2ccsc2)CC1.
What is the InChIKey of 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is RIHGOOMSHBTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10(15)14-5-2-12(3-6-14)13-8-11-4-7-16-9-11/h4,7,9,12-13H,2-3,5-6,8H2,1H3.
What are the key properties of 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone?
1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 238.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43224260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).