N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

C25H28N4O5 — CID 50834258

IUPACN-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3cc(OC)ccc3OC)CC2)c1
InChIInChI=1S/C25H28N4O5/c1-31-18-5-4-6-20(15-18)34-25-23(26-11-12-27-25)29-13-9-17(10-14-29)24(30)28-21-16-19(32-2)7-8-22(21)33-3/h4-8,11-12,15-17H,9-10,13-14H2,1-3H3,(H,28,30)
InChIKeyRJHJWNQMQYFVRN-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.15
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 50834258) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID50834258
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC NameN-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3cc(OC)ccc3OC)CC2)c1
InChIInChI=1S/C25H28N4O5/c1-31-18-5-4-6-20(15-18)34-25-23(26-11-12-27-25)29-13-9-17(10-14-29)24(30)28-21-16-19(32-2)7-8-22(21)33-3/h4-8,11-12,15-17H,9-10,13-14H2,1-3H3,(H,28,30)
InChIKeyRJHJWNQMQYFVRN-UHFFFAOYSA-N
XLogP4.15
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392191
N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392125
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834243
1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 50834328
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834661
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392173
N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 50834258) is N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is COc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3cc(OC)ccc3OC)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is RJHJWNQMQYFVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-31-18-5-4-6-20(15-18)34-25-23(26-11-12-27-25)29-13-9-17(10-14-29)24(30)28-21-16-19(32-2)7-8-22(21)33-3/h4-8,11-12,15-17H,9-10,13-14H2,1-3H3,(H,28,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50834258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).