N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

C24H25FN4O4 — CID 50834387

IUPACN-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(OC)c(F)c3)CC2)c1
InChIInChI=1S/C24H25FN4O4/c1-31-18-4-3-5-19(15-18)33-24-22(26-10-11-27-24)29-12-8-16(9-13-29)23(30)28-17-6-7-21(32-2)20(25)14-17/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,28,30)
InChIKeyOBVSBJRRKFFORE-UHFFFAOYSA-N
MW452.49 g/mol
LogP4.28
Rot. Bonds7

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

N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 50834387) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID50834387
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(OC)c(F)c3)CC2)c1
InChIInChI=1S/C24H25FN4O4/c1-31-18-4-3-5-19(15-18)33-24-22(26-10-11-27-24)29-12-8-16(9-13-29)23(30)28-17-6-7-21(32-2)20(25)14-17/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,28,30)
InChIKeyOBVSBJRRKFFORE-UHFFFAOYSA-N
XLogP4.28
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834661
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
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
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834660
N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392098
1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 50834328
N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834243
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-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 50834252
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050455

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 50834387) is N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is COc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(OC)c(F)c3)CC2)c1.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is OBVSBJRRKFFORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-31-18-4-3-5-19(15-18)33-24-22(26-10-11-27-24)29-12-8-16(9-13-29)23(30)28-17-6-7-21(32-2)20(25)14-17/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,28,30).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50834387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).