(3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone

C15H17NO2S — CID 43393895

IUPAC(3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
SMILESCc1c(C(=O)N2CCCC(O)C2)sc2ccccc12
InChIInChI=1S/C15H17NO2S/c1-10-12-6-2-3-7-13(12)19-14(10)15(18)16-8-4-5-11(17)9-16/h2-3,6-7,11,17H,4-5,8-9H2,1H3
InChIKeyNFFXOHCRLPXTOU-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.81
Rot. Bonds1

About (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone

(3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone (PubChem CID 43393895) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
PubChem CID43393895
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
SMILESCc1c(C(=O)N2CCCC(O)C2)sc2ccccc12
InChIInChI=1S/C15H17NO2S/c1-10-12-6-2-3-7-13(12)19-14(10)15(18)16-8-4-5-11(17)9-16/h2-3,6-7,11,17H,4-5,8-9H2,1H3
InChIKeyNFFXOHCRLPXTOU-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone (CID 43393895) is (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone is Cc1c(C(=O)N2CCCC(O)C2)sc2ccccc12.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone?
The InChIKey is NFFXOHCRLPXTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-12-6-2-3-7-13(12)19-14(10)15(18)16-8-4-5-11(17)9-16/h2-3,6-7,11,17H,4-5,8-9H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone?
(3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone has a molecular weight of 275.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 43393895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).