(3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C19H22FN3OS — CID 171540359

IUPAC(3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C19H22FN3OS/c20-14-6-3-7-15(11-14)23-10-4-5-13(12-23)18(24)22-19-21-16-8-1-2-9-17(16)25-19/h3,6-7,11,13H,1-2,4-5,8-10,12H2,(H,21,22,24)/t13-/m1/s1
InChIKeyALVIBLAHFXXNHL-CYBMUJFWSA-N
MW359.47 g/mol
LogP4.02
Rot. Bonds3

About (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

(3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 171540359) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID171540359
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name(3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C19H22FN3OS/c20-14-6-3-7-15(11-14)23-10-4-5-13(12-23)18(24)22-19-21-16-8-1-2-9-17(16)25-19/h3,6-7,11,13H,1-2,4-5,8-10,12H2,(H,21,22,24)/t13-/m1/s1
InChIKeyALVIBLAHFXXNHL-CYBMUJFWSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71705168
(3S)-1-(6-chloropyridazin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 94162895
(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94155243
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
1-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 3224220
(3R)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51929683
1-(4-methoxyphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16829109
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 53071173
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46565001
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 42948294

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 171540359) is (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is ALVIBLAHFXXNHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FN3OS/c20-14-6-3-7-15(11-14)23-10-4-5-13(12-23)18(24)22-19-21-16-8-1-2-9-17(16)25-19/h3,6-7,11,13H,1-2,4-5,8-10,12H2,(H,21,22,24)/t13-/m1/s1.
What are the key properties of (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 171540359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).