(2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide

C13H16FN3OS — CID 8675880

IUPAC(2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1C(=S)Nc1ccccc1F
InChIInChI=1S/C13H16FN3OS/c14-9-5-1-2-6-10(9)16-13(19)17-8-4-3-7-11(17)12(15)18/h1-2,5-6,11H,3-4,7-8H2,(H2,15,18)(H,16,19)/t11-/m1/s1
InChIKeyYTRCPGRGDPXALX-LLVKDONJSA-N
MW281.36 g/mol
LogP1.86
Rot. Bonds2

About (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide

(2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide (PubChem CID 8675880) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide
PubChem CID8675880
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name(2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1C(=S)Nc1ccccc1F
InChIInChI=1S/C13H16FN3OS/c14-9-5-1-2-6-10(9)16-13(19)17-8-4-3-7-11(17)12(15)18/h1-2,5-6,11H,3-4,7-8H2,(H2,15,18)(H,16,19)/t11-/m1/s1
InChIKeyYTRCPGRGDPXALX-LLVKDONJSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-2-carboxamide
CID 8675882
(2S)-1-[(3,5-dimethylphenyl)carbamothioyl]piperidine-2-carboxamide
CID 8628848
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
(2R)-1-[(3-methylphenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 8680082
(2S)-1-[(3-bromophenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 9235389
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126009168
(2R)-1-[(4-ethylphenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 8680102
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203308

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide (CID 8675880) is (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide is NC(=O)[C@H]1CCCCN1C(=S)Nc1ccccc1F.
What is the InChIKey of (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide?
The InChIKey is YTRCPGRGDPXALX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FN3OS/c14-9-5-1-2-6-10(9)16-13(19)17-8-4-3-7-11(17)12(15)18/h1-2,5-6,11H,3-4,7-8H2,(H2,15,18)(H,16,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide?
(2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluorophenyl)carbamothioyl]piperidine-2-carboxamide is sourced from PubChem (CID 8675880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).