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

C17H23N3OS — CID 90609956

IUPAC1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C17H23N3OS/c1-12(2)10-18-16(21)13-6-5-9-20(11-13)17-19-14-7-3-4-8-15(14)22-17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,21)
InChIKeyCSYLMXHZAOCRSI-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.28
Rot. Bonds4

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

1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 90609956) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID90609956
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C17H23N3OS/c1-12(2)10-18-16(21)13-6-5-9-20(11-13)17-19-14-7-3-4-8-15(14)22-17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,21)
InChIKeyCSYLMXHZAOCRSI-UHFFFAOYSA-N
XLogP3.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950753
1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90610057
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 90609970
(3S)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950754
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
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
1-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidine-3-carboxamide
CID 90609919
methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]amino]benzoate
CID 90610013
(3R)-1-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 7436396
(3S)-1-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)phenyl]piperidine-3-carboxamide
CID 51950778

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide (CID 90609956) is 1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is CSYLMXHZAOCRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(2)10-18-16(21)13-6-5-9-20(11-13)17-19-14-7-3-4-8-15(14)22-17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,21).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 90609956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).