1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide

C16H21N3O2S — CID 90609959

IUPAC1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C16H21N3O2S/c1-21-10-8-17-15(20)12-5-4-9-19(11-12)16-18-13-6-2-3-7-14(13)22-16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20)
InChIKeyNMIGMEVSVRNTNH-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.28
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide

1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 90609959) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID90609959
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C16H21N3O2S/c1-21-10-8-17-15(20)12-5-4-9-19(11-12)16-18-13-6-2-3-7-14(13)22-16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20)
InChIKeyNMIGMEVSVRNTNH-UHFFFAOYSA-N
XLogP2.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950753
(3S)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950754
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956
(3R)-1-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 7436396
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
1-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidine-3-carboxamide
CID 90609919
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 90609970
1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90610057
1-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(3-methoxypropyl)urea
CID 7455185
methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]amino]benzoate
CID 90610013
1-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47047183
N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90609923

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 90609959) is 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)C1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is NMIGMEVSVRNTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-21-10-8-17-15(20)12-5-4-9-19(11-12)16-18-13-6-2-3-7-14(13)22-16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 90609959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).