3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one

C18H24N2O2S — CID 10382125

IUPAC3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one
SMILESCCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCC1
InChIInChI=1S/C18H24N2O2S/c1-2-16(21)14-7-8-15-17(13-14)23-18(22)20(15)12-6-11-19-9-4-3-5-10-19/h7-8,13H,2-6,9-12H2,1H3
InChIKeyUOTVBAFVZJPADP-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.53
Rot. Bonds6

About 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one

3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one (PubChem CID 10382125) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one
PubChem CID10382125
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one
SMILESCCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCC1
InChIInChI=1S/C18H24N2O2S/c1-2-16(21)14-7-8-15-17(13-14)23-18(22)20(15)12-6-11-19-9-4-3-5-10-19/h7-8,13H,2-6,9-12H2,1H3
InChIKeyUOTVBAFVZJPADP-UHFFFAOYSA-N
XLogP3.53
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one?
The IUPAC name of 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one (CID 10382125) is 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one?
The canonical SMILES for 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one is CCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCC1.
What is the InChIKey of 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one?
The InChIKey is UOTVBAFVZJPADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-2-16(21)14-7-8-15-17(13-14)23-18(22)20(15)12-6-11-19-9-4-3-5-10-19/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one?
3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one has a molecular weight of 332.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylpropyl)-6-propanoyl-1,3-benzothiazol-2-one is sourced from PubChem (CID 10382125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).