1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide

C25H28N4O3S — CID 50834328

IUPAC1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(SC)cc3)CC2)c1
InChIInChI=1S/C25H28N4O3S/c1-31-20-4-3-5-21(16-20)32-25-23(26-12-13-27-25)29-14-10-19(11-15-29)24(30)28-17-18-6-8-22(33-2)9-7-18/h3-9,12-13,16,19H,10-11,14-15,17H2,1-2H3,(H,28,30)
InChIKeyYQYFSLXWKMQLDN-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.53
Rot. Bonds8

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

1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 50834328) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
PubChem CID50834328
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(SC)cc3)CC2)c1
InChIInChI=1S/C25H28N4O3S/c1-31-20-4-3-5-21(16-20)32-25-23(26-12-13-27-25)29-14-10-19(11-15-29)24(30)28-17-18-6-8-22(33-2)9-7-18/h3-9,12-13,16,19H,10-11,14-15,17H2,1-2H3,(H,28,30)
InChIKeyYQYFSLXWKMQLDN-UHFFFAOYSA-N
XLogP4.53
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834243
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392153
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392089
N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-ethylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834330
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834297
N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide (CID 50834328) is 1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide is COc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(SC)cc3)CC2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YQYFSLXWKMQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-31-20-4-3-5-21(16-20)32-25-23(26-12-13-27-25)29-14-10-19(11-15-29)24(30)28-17-18-6-8-22(33-2)9-7-18/h3-9,12-13,16,19H,10-11,14-15,17H2,1-2H3,(H,28,30).
What are the key properties of 1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50834328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).