3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one

C14H18N2OS — CID 79222476

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCC1Cc2ccccc2S1
InChIInChI=1S/C14H18N2OS/c17-14-12(5-3-7-15-14)16-9-11-8-10-4-1-2-6-13(10)18-11/h1-2,4,6,11-12,16H,3,5,7-9H2,(H,15,17)
InChIKeyLBIHUEVQBMLRHB-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.57
Rot. Bonds3

About 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one

3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one (PubChem CID 79222476) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one
PubChem CID79222476
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCC1Cc2ccccc2S1
InChIInChI=1S/C14H18N2OS/c17-14-12(5-3-7-15-14)16-9-11-8-10-4-1-2-6-13(10)18-11/h1-2,4,6,11-12,16H,3,5,7-9H2,(H,15,17)
InChIKeyLBIHUEVQBMLRHB-UHFFFAOYSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one (CID 79222476) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one is O=C1NCCCC1NCC1Cc2ccccc2S1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one?
The InChIKey is LBIHUEVQBMLRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-14-12(5-3-7-15-14)16-9-11-8-10-4-1-2-6-13(10)18-11/h1-2,4,6,11-12,16H,3,5,7-9H2,(H,15,17).
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one?
3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one has a molecular weight of 262.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)piperidin-2-one is sourced from PubChem (CID 79222476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).