[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone

C24H26N2O3S — CID 9461544

IUPAC[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1
InChIInChI=1S/C24H26N2O3S/c27-24(17-10-12-18(13-11-17)29-16-19-6-5-15-28-19)26-14-4-3-8-21(26)23-25-20-7-1-2-9-22(20)30-23/h1-2,7,9-13,19,21H,3-6,8,14-16H2/t19-,21-/m1/s1
InChIKeyHULJZIKZKUEJHE-TZIWHRDSSA-N
MW422.55 g/mol
LogP5.22
Rot. Bonds5

About [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone

[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 9461544) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID9461544
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1
InChIInChI=1S/C24H26N2O3S/c27-24(17-10-12-18(13-11-17)29-16-19-6-5-15-28-19)26-14-4-3-8-21(26)23-25-20-7-1-2-9-22(20)30-23/h1-2,7,9-13,19,21H,3-6,8,14-16H2/t19-,21-/m1/s1
InChIKeyHULJZIKZKUEJHE-TZIWHRDSSA-N
XLogP5.22
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 18090664
[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 41012818
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55500488
2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 112789782
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51332361
2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 134048765
(2R)-2-(1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carbothioamide
CID 8563031
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51143363
5-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701827
1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 41183194
4-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 9204142
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 51143344

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone (CID 9461544) is [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone is O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1.
What is the InChIKey of [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is HULJZIKZKUEJHE-TZIWHRDSSA-N. The full InChI is InChI=1S/C24H26N2O3S/c27-24(17-10-12-18(13-11-17)29-16-19-6-5-15-28-19)26-14-4-3-8-21(26)23-25-20-7-1-2-9-22(20)30-23/h1-2,7,9-13,19,21H,3-6,8,14-16H2/t19-,21-/m1/s1.
What are the key properties of [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone?
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone has a molecular weight of 422.55 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 9461544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).