N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

C23H23FN4OS — CID 46392375

IUPACN-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN(c2nccnc2Sc2ccccc2)C1
InChIInChI=1S/C23H23FN4OS/c24-20-11-5-4-7-17(20)15-27-22(29)18-8-6-14-28(16-18)21-23(26-13-12-25-21)30-19-9-2-1-3-10-19/h1-5,7,9-13,18H,6,8,14-16H2,(H,27,29)
InChIKeyZHEYUYAWWRXFHV-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.30
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 46392375) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
PubChem CID46392375
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN(c2nccnc2Sc2ccccc2)C1
InChIInChI=1S/C23H23FN4OS/c24-20-11-5-4-7-17(20)15-27-22(29)18-8-6-14-28(16-18)21-23(26-13-12-25-21)30-19-9-2-1-3-10-19/h1-5,7,9-13,18H,6,8,14-16H2,(H,27,29)
InChIKeyZHEYUYAWWRXFHV-UHFFFAOYSA-N
XLogP4.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(4-methylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884309
(3S)-N-benzyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884191
N-[(3-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392324
(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884301
(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884372
N-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 50834443
(3S)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92884183
(3R)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 92897061
N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392276
N-(3-methylbutyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834261
(3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897056
(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897095

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide (CID 46392375) is N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide is O=C(NCc1ccccc1F)C1CCCN(c2nccnc2Sc2ccccc2)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is ZHEYUYAWWRXFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS/c24-20-11-5-4-7-17(20)15-27-22(29)18-8-6-14-28(16-18)21-23(26-13-12-25-21)30-19-9-2-1-3-10-19/h1-5,7,9-13,18H,6,8,14-16H2,(H,27,29).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46392375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).