(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

C22H21FN4OS — CID 92884301

IUPAC(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1
InChIInChI=1S/C22H21FN4OS/c23-17-8-10-18(11-9-17)26-21(28)16-5-4-14-27(15-16)20-22(25-13-12-24-20)29-19-6-2-1-3-7-19/h1-3,6-13,16H,4-5,14-15H2,(H,26,28)/t16-/m0/s1
InChIKeyULXGEIFRRRQZJM-INIZCTEOSA-N
MW408.50 g/mol
LogP4.62
Rot. Bonds5

About (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 92884301) has the molecular formula C22H21FN4OS and a molecular weight of 408.50 g/mol. Its IUPAC name is (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
PubChem CID92884301
Molecular FormulaC22H21FN4OS
Molecular Weight408.50 g/mol
Exact Mass408.14
IUPAC Name(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1
InChIInChI=1S/C22H21FN4OS/c23-17-8-10-18(11-9-17)26-21(28)16-5-4-14-27(15-16)20-22(25-13-12-24-20)29-19-6-2-1-3-7-19/h1-3,6-13,16H,4-5,14-15H2,(H,26,28)/t16-/m0/s1
InChIKeyULXGEIFRRRQZJM-INIZCTEOSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392386
(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884372
N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834334
1-(3-phenylsulfanylpyrazin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46392345
N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392375
(3S)-N-(4-ethylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884205
N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129880
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834408
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834360
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897328
(3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897056
(3S)-N-[(4-methylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884309

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide (CID 92884301) is (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide is O=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1.
What is the InChIKey of (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is ULXGEIFRRRQZJM-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21FN4OS/c23-17-8-10-18(11-9-17)26-21(28)16-5-4-14-27(15-16)20-22(25-13-12-24-20)29-19-6-2-1-3-7-19/h1-3,6-13,16H,4-5,14-15H2,(H,26,28)/t16-/m0/s1.
What are the key properties of (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92884301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).