N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide

C19H19N3O2S — CID 167835937

IUPACN-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide
SMILESO=C(Nc1ccc2[nH]c(=O)sc2c1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C19H19N3O2S/c23-18(21-15-7-8-16-17(10-15)25-19(24)22-16)13-5-3-12(4-6-13)14-2-1-9-20-11-14/h3-8,10,14,20H,1-2,9,11H2,(H,21,23)(H,22,24)
InChIKeyGIDNMTPLKSVUGR-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.31
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide

N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide (PubChem CID 167835937) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide
PubChem CID167835937
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide
SMILESO=C(Nc1ccc2[nH]c(=O)sc2c1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C19H19N3O2S/c23-18(21-15-7-8-16-17(10-15)25-19(24)22-16)13-5-3-12(4-6-13)14-2-1-9-20-11-14/h3-8,10,14,20H,1-2,9,11H2,(H,21,23)(H,22,24)
InChIKeyGIDNMTPLKSVUGR-UHFFFAOYSA-N
XLogP3.31
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
4-ethynyl-N-(4-pyrrolidin-3-ylphenyl)benzamide
CID 53250757
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide
CID 15990360
3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 160533406
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide (CID 167835937) is N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide is O=C(Nc1ccc2[nH]c(=O)sc2c1)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide?
The InChIKey is GIDNMTPLKSVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-18(21-15-7-8-16-17(10-15)25-19(24)22-16)13-5-3-12(4-6-13)14-2-1-9-20-11-14/h3-8,10,14,20H,1-2,9,11H2,(H,21,23)(H,22,24).
What are the key properties of N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide?
N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide has a molecular weight of 353.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 167835937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).