N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide

C18H23N3O2S — CID 131895532

IUPACN-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H23N3O2S/c22-18(20-14-3-4-17-16(10-14)19-12-24-17)13-2-1-7-21(11-13)15-5-8-23-9-6-15/h3-4,10,12-13,15H,1-2,5-9,11H2,(H,20,22)
InChIKeyXJSWQLQZAMUNAT-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.13
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide

N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 131895532) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID131895532
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H23N3O2S/c22-18(20-14-3-4-17-16(10-14)19-12-24-17)13-2-1-7-21(11-13)15-5-8-23-9-6-15/h3-4,10,12-13,15H,1-2,5-9,11H2,(H,20,22)
InChIKeyXJSWQLQZAMUNAT-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
CID 119296080
1-(1,3-benzothiazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122078635
(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 25371663
(3R)-N-(1,3-benzothiazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3-carboxamide
CID 162522975
N-(1,3-benzothiazol-5-yl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99830066
(3R)-N-(1,3-benzothiazol-5-yl)-1-quinolin-6-ylsulfonylpyrrolidine-3-carboxamide
CID 162523062
N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide
CID 133115452
N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
CID 119735663
N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 162522988
(3S)-N-(1,3-benzothiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 125131303
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide (CID 131895532) is N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide is O=C(Nc1ccc2scnc2c1)C1CCCN(C2CCOCC2)C1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is XJSWQLQZAMUNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-18(20-14-3-4-17-16(10-14)19-12-24-17)13-2-1-7-21(11-13)15-5-8-23-9-6-15/h3-4,10,12-13,15H,1-2,5-9,11H2,(H,20,22).
What are the key properties of N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide?
N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 131895532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).