N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

C24H25FN4O2 — CID 50835943

IUPACN-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCCC(C(=O)Nc3ccc(F)cc3C)C2)cc1
InChIInChI=1S/C24H25FN4O2/c1-16-5-8-20(9-6-16)31-24-22(26-11-12-27-24)29-13-3-4-18(15-29)23(30)28-21-10-7-19(25)14-17(21)2/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,28,30)
InChIKeyKCCRFGKVQWMTOX-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.88
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 50835943) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
PubChem CID50835943
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCCC(C(=O)Nc3ccc(F)cc3C)C2)cc1
InChIInChI=1S/C24H25FN4O2/c1-16-5-8-20(9-6-16)31-24-22(26-11-12-27-24)29-13-3-4-18(15-29)23(30)28-21-10-7-19(25)14-17(21)2/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,28,30)
InChIKeyKCCRFGKVQWMTOX-UHFFFAOYSA-N
XLogP4.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050387
(3R)-N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050385
(3R)-N-(4-bromo-2-methylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897295
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834360
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884416
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884417
(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884432
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382
1-[3-(4-methylphenoxy)pyrazin-2-yl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 50836078
(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506
(3S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95092374

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (CID 50835943) is N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is Cc1ccc(Oc2nccnc2N2CCCC(C(=O)Nc3ccc(F)cc3C)C2)cc1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is KCCRFGKVQWMTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16-5-8-20(9-6-16)31-24-22(26-11-12-27-24)29-13-3-4-18(15-29)23(30)28-21-10-7-19(25)14-17(21)2/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,28,30).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 50835943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).