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

C24H25FN4O2 — CID 50834660

IUPACN-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(F)c(C)c3)CC2)cc1
InChIInChI=1S/C24H25FN4O2/c1-16-3-6-20(7-4-16)31-24-22(26-11-12-27-24)29-13-9-18(10-14-29)23(30)28-19-5-8-21(25)17(2)15-19/h3-8,11-12,15,18H,9-10,13-14H2,1-2H3,(H,28,30)
InChIKeyVEIXIJWERDIOKS-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.88
Rot. Bonds5

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

N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 50834660) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID50834660
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(F)c(C)c3)CC2)cc1
InChIInChI=1S/C24H25FN4O2/c1-16-3-6-20(7-4-16)31-24-22(26-11-12-27-24)29-13-9-18(10-14-29)23(30)28-19-5-8-21(25)17(2)15-19/h3-8,11-12,15,18H,9-10,13-14H2,1-2H3,(H,28,30)
InChIKeyVEIXIJWERDIOKS-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

N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834661
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326
(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884432
N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392098
(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
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392077
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50835943
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 50834252

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 50834660) is N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is Cc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(F)c(C)c3)CC2)cc1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is VEIXIJWERDIOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16-3-6-20(7-4-16)31-24-22(26-11-12-27-24)29-13-9-18(10-14-29)23(30)28-19-5-8-21(25)17(2)15-19/h3-8,11-12,15,18H,9-10,13-14H2,1-2H3,(H,28,30).
What are the key properties of N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-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-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50834660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).