1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one

C17H23NOS — CID 79538840

IUPAC1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1CSc2ccccc21
InChIInChI=1S/C17H23NOS/c1-13(19)10-15-6-4-5-9-18(15)11-14-12-20-17-8-3-2-7-16(14)17/h2-3,7-8,14-15H,4-6,9-12H2,1H3
InChIKeyBJOIGYMPDHGJBG-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.71
Rot. Bonds4

About 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one

1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one (PubChem CID 79538840) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one
PubChem CID79538840
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1CSc2ccccc21
InChIInChI=1S/C17H23NOS/c1-13(19)10-15-6-4-5-9-18(15)11-14-12-20-17-8-3-2-7-16(14)17/h2-3,7-8,14-15H,4-6,9-12H2,1H3
InChIKeyBJOIGYMPDHGJBG-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one (CID 79538840) is 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CC1CSc2ccccc21.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one?
The InChIKey is BJOIGYMPDHGJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13(19)10-15-6-4-5-9-18(15)11-14-12-20-17-8-3-2-7-16(14)17/h2-3,7-8,14-15H,4-6,9-12H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one?
1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one has a molecular weight of 289.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79538840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).