N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide

C15H20FN3OS — CID 119884186

IUPACN-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCCN(c2cccc(F)c2)C1)C1CSCN1
InChIInChI=1S/C15H20FN3OS/c16-11-3-1-5-13(7-11)19-6-2-4-12(8-19)18-15(20)14-9-21-10-17-14/h1,3,5,7,12,14,17H,2,4,6,8-10H2,(H,18,20)
InChIKeyLIRWCFDVHHRCJN-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.57
Rot. Bonds3

About N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide

N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119884186) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID119884186
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC NameN-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCCN(c2cccc(F)c2)C1)C1CSCN1
InChIInChI=1S/C15H20FN3OS/c16-11-3-1-5-13(7-11)19-6-2-4-12(8-19)18-15(20)14-9-21-10-17-14/h1,3,5,7,12,14,17H,2,4,6,8-10H2,(H,18,20)
InChIKeyLIRWCFDVHHRCJN-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119884134
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95980409
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124782091
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43700130
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide (CID 119884186) is N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide is O=C(NC1CCCN(c2cccc(F)c2)C1)C1CSCN1.
What is the InChIKey of N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LIRWCFDVHHRCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c16-11-3-1-5-13(7-11)19-6-2-4-12(8-19)18-15(20)14-9-21-10-17-14/h1,3,5,7,12,14,17H,2,4,6,8-10H2,(H,18,20).
What are the key properties of N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide?
N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119884186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).