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

C23H23FN4O2 — CID 50834326

IUPACN-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H23FN4O2/c1-16-3-2-4-20(15-16)30-23-21(25-11-12-26-23)28-13-9-17(10-14-28)22(29)27-19-7-5-18(24)6-8-19/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H,27,29)
InChIKeyXGCIZZRLMXWPGL-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.57
Rot. Bonds5

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

N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 50834326) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID50834326
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H23FN4O2/c1-16-3-2-4-20(15-16)30-23-21(25-11-12-26-23)28-13-9-17(10-14-28)22(29)27-19-7-5-18(24)6-8-19/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H,27,29)
InChIKeyXGCIZZRLMXWPGL-UHFFFAOYSA-N
XLogP4.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 50834252
N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834297
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834660
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392191
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 92884014
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
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834661
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 50834326) is N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is Cc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is XGCIZZRLMXWPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-3-2-4-20(15-16)30-23-21(25-11-12-26-23)28-13-9-17(10-14-28)22(29)27-19-7-5-18(24)6-8-19/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.57, 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-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50834326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).