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

C24H25FN4O3 — CID 50834661

IUPACN-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)cc1F
InChIInChI=1S/C24H25FN4O3/c1-16-3-6-19(7-4-16)32-24-22(26-11-12-27-24)29-13-9-17(10-14-29)23(30)28-18-5-8-21(31-2)20(25)15-18/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,28,30)
InChIKeyMXYKIQHAELLHAJ-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.58
Rot. Bonds6

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

N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 50834661) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID50834661
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)cc1F
InChIInChI=1S/C24H25FN4O3/c1-16-3-6-19(7-4-16)32-24-22(26-11-12-27-24)29-13-9-17(10-14-29)23(30)28-18-5-8-21(31-2)20(25)15-18/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,28,30)
InChIKeyMXYKIQHAELLHAJ-UHFFFAOYSA-N
XLogP4.58
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
(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-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392098
N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392077
(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884432
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 50834661) is N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is MXYKIQHAELLHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-16-3-6-19(7-4-16)32-24-22(26-11-12-27-24)29-13-9-17(10-14-29)23(30)28-18-5-8-21(31-2)20(25)15-18/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,28,30).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50834661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).