methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate

C14H16N2O2S — CID 63372924

IUPACmethyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2snc3ccccc23)CC1
InChIInChI=1S/C14H16N2O2S/c1-18-14(17)10-6-8-16(9-7-10)13-11-4-2-3-5-12(11)15-19-13/h2-5,10H,6-9H2,1H3
InChIKeyWZZSBHSSRBFIRE-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.69
Rot. Bonds2

About methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate

methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate (PubChem CID 63372924) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate
PubChem CID63372924
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2snc3ccccc23)CC1
InChIInChI=1S/C14H16N2O2S/c1-18-14(17)10-6-8-16(9-7-10)13-11-4-2-3-5-12(11)15-19-13/h2-5,10H,6-9H2,1H3
InChIKeyWZZSBHSSRBFIRE-UHFFFAOYSA-N
XLogP2.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate
CID 103204947
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
1-[1-(2,1-benzothiazol-3-yl)pyrrolidin-3-yl]ethanamine
CID 113360803
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
methyl 1-(3-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 55138629
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
1-(2,1-benzothiazol-3-yl)-3-methylpiperidine-3-carboxylic acid
CID 66354635
1-(2,1-benzothiazol-3-yl)piperidine-3-carbaldehyde
CID 66353435
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
methyl 4-[(3-methylindazol-2-yl)methyl]cyclohexane-1-carboxylate
CID 172581582
methyl 1-(2-bromophenyl)pyrrolidine-3-carboxylate
CID 117028374

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate (CID 63372924) is methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2snc3ccccc23)CC1.
What is the InChIKey of methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate?
The InChIKey is WZZSBHSSRBFIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-14(17)10-6-8-16(9-7-10)13-11-4-2-3-5-12(11)15-19-13/h2-5,10H,6-9H2,1H3.
What are the key properties of methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate?
methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 63372924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).