N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide

C23H23FN4OS — CID 53129880

IUPACN-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H23FN4OS/c1-16-2-8-20(9-3-16)30-23-21(25-12-13-26-23)28-14-10-17(11-15-28)22(29)27-19-6-4-18(24)5-7-19/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,27,29)
InChIKeyLIBKMQLDHANEQK-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.93
Rot. Bonds5

About N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide

N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 53129880) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
PubChem CID53129880
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC NameN-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H23FN4OS/c1-16-2-8-20(9-3-16)30-23-21(25-12-13-26-23)28-14-10-17(11-15-28)22(29)27-19-6-4-18(24)5-7-19/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,27,29)
InChIKeyLIBKMQLDHANEQK-UHFFFAOYSA-N
XLogP4.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129879
N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129863
(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884301
N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834334
N-(4-fluorophenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392386
N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129868
(3S)-N-(4-ethylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884205
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834360
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95092282
(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone
CID 53129921
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 46333852
(3S)-N-(3,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92884187

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide (CID 53129880) is N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide is Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is LIBKMQLDHANEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS/c1-16-2-8-20(9-3-16)30-23-21(25-12-13-26-23)28-14-10-17(11-15-28)22(29)27-19-6-4-18(24)5-7-19/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53129880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).