piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

C14H19NOS — CID 596805

IUPACpiperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
SMILESO=C(c1scc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C14H19NOS/c16-14(15-8-4-1-5-9-15)13-12-7-3-2-6-11(12)10-17-13/h10H,1-9H2
InChIKeyYUXAASKJLIZBMK-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.25
Rot. Bonds1

About piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone (PubChem CID 596805) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
PubChem CID596805
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Namepiperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
SMILESO=C(c1scc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C14H19NOS/c16-14(15-8-4-1-5-9-15)13-12-7-3-2-6-11(12)10-17-13/h10H,1-9H2
InChIKeyYUXAASKJLIZBMK-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone?
The IUPAC name of piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone (CID 596805) is piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone.
What is the SMILES notation for piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone?
The canonical SMILES for piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone is O=C(c1scc2c1CCCC2)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone?
The InChIKey is YUXAASKJLIZBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-14(15-8-4-1-5-9-15)13-12-7-3-2-6-11(12)10-17-13/h10H,1-9H2.
What are the key properties of piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone?
piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone has a molecular weight of 249.38 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone is sourced from PubChem (CID 596805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).