methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate

C15H16N2O3S — CID 43404805

IUPACmethyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C15H16N2O3S/c1-20-15(19)10-4-6-17(7-5-10)14(18)11-2-3-12-13(8-11)21-9-16-12/h2-3,8-10H,4-7H2,1H3
InChIKeyRHFGRCHHMNIMRL-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.32
Rot. Bonds2

About methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate

methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate (PubChem CID 43404805) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
PubChem CID43404805
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C15H16N2O3S/c1-20-15(19)10-4-6-17(7-5-10)14(18)11-2-3-12-13(8-11)21-9-16-12/h2-3,8-10H,4-7H2,1H3
InChIKeyRHFGRCHHMNIMRL-UHFFFAOYSA-N
XLogP2.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 7276401
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
(3R)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid
CID 81118458
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 24575268
1-(1,3-benzothiazole-6-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123521
1-(1,3-benzothiazole-6-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741825
1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7096348
methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
CID 80952645
1,3-benzothiazol-6-yl-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 47017726
1,3-benzothiazol-6-yl-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]methanone
CID 72720390

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate (CID 43404805) is methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc3ncsc3c2)CC1.
What is the InChIKey of methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is RHFGRCHHMNIMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-15(19)10-4-6-17(7-5-10)14(18)11-2-3-12-13(8-11)21-9-16-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate?
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43404805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).