[(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate

C17H18N2O4S — CID 94383813

IUPAC[(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
SMILESO=C(O[C@@H]1CCOC1=O)[C@H]1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C17H18N2O4S/c20-15(23-13-7-9-22-16(13)21)11-4-3-8-19(10-11)17-18-12-5-1-2-6-14(12)24-17/h1-2,5-6,11,13H,3-4,7-10H2/t11-,13+/m0/s1
InChIKeyRKXLHWFZTSHQSU-WCQYABFASA-N
MW346.41 g/mol
LogP2.37
Rot. Bonds3

About [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate

[(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate (PubChem CID 94383813) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
PubChem CID94383813
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
SMILESO=C(O[C@@H]1CCOC1=O)[C@H]1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C17H18N2O4S/c20-15(23-13-7-9-22-16(13)21)11-4-3-8-19(10-11)17-18-12-5-1-2-6-14(12)24-17/h1-2,5-6,11,13H,3-4,7-10H2/t11-,13+/m0/s1
InChIKeyRKXLHWFZTSHQSU-WCQYABFASA-N
XLogP2.37
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate with MolForge

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Related Compounds

methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 90610083
(3S)-1-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)phenyl]piperidine-3-carboxamide
CID 51950778
1-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90610044
ethyl 1-[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90609936
methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]amino]benzoate
CID 90610013
(3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461774
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956
(3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 97018001
1-(1,3-benzothiazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 90609916
1-(1,3-benzothiazol-2-yl)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 42961937

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate (CID 94383813) is [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate is O=C(O[C@@H]1CCOC1=O)[C@H]1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate?
The InChIKey is RKXLHWFZTSHQSU-WCQYABFASA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-15(23-13-7-9-22-16(13)21)11-4-3-8-19(10-11)17-18-12-5-1-2-6-14(12)24-17/h1-2,5-6,11,13H,3-4,7-10H2/t11-,13+/m0/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate?
[(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 94383813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).