1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C23H25N3O3S — CID 58548111

IUPAC1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C23H25N3O3S/c27-23(22-25-19-5-1-2-6-20(19)30-22)26-12-7-17(8-13-26)29-21-18(4-3-11-24-21)16-9-14-28-15-10-16/h1-6,11,16-17H,7-10,12-15H2
InChIKeyRPQSZWNPWDZWPS-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.27
Rot. Bonds4

About 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 58548111) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID58548111
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C23H25N3O3S/c27-23(22-25-19-5-1-2-6-20(19)30-22)26-12-7-17(8-13-26)29-21-18(4-3-11-24-21)16-9-14-28-15-10-16/h1-6,11,16-17H,7-10,12-15H2
InChIKeyRPQSZWNPWDZWPS-UHFFFAOYSA-N
XLogP4.27
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 58548111) is 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is O=C(c1nc2ccccc2s1)N1CCC(Oc2ncccc2C2CCOCC2)CC1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is RPQSZWNPWDZWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-23(22-25-19-5-1-2-6-20(19)30-22)26-12-7-17(8-13-26)29-21-18(4-3-11-24-21)16-9-14-28-15-10-16/h1-6,11,16-17H,7-10,12-15H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 423.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 58548111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).