1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

C20H18N2O3S — CID 41183194

IUPAC1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1nc2ccccc2s1
InChIInChI=1S/C20H18N2O3S/c23-20(13-8-9-16-17(11-13)25-12-24-16)22-10-4-3-6-15(22)19-21-14-5-1-2-7-18(14)26-19/h1-2,5,7-9,11,15H,3-4,6,10,12H2/t15-/m1/s1
InChIKeyMCTDZXJIMLARGP-OAHLLOKOSA-N
MW366.44 g/mol
LogP4.39
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 41183194) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
PubChem CID41183194
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1nc2ccccc2s1
InChIInChI=1S/C20H18N2O3S/c23-20(13-8-9-16-17(11-13)25-12-24-16)22-10-4-3-6-15(22)19-21-14-5-1-2-7-18(14)26-19/h1-2,5,7-9,11,15H,3-4,6,10,12H2/t15-/m1/s1
InChIKeyMCTDZXJIMLARGP-OAHLLOKOSA-N
XLogP4.39
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51332361
5-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 102556002
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51143363
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 18090664
1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone
CID 41169057
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 38610096
2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 134048765
1-[5-[(2S)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one
CID 41190243
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 51471043
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 31790910
5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 94329999

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (CID 41183194) is 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is MCTDZXJIMLARGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-20(13-8-9-16-17(11-13)25-12-24-16)22-10-4-3-6-15(22)19-21-14-5-1-2-7-18(14)26-19/h1-2,5,7-9,11,15H,3-4,6,10,12H2/t15-/m1/s1.
What are the key properties of 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 41183194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).