ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate

C26H28N4O4 — CID 46392484

IUPACethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCN(c3nccnc3Oc3ccccc3C)C2)c1
InChIInChI=1S/C26H28N4O4/c1-3-33-26(32)19-9-6-11-21(16-19)29-24(31)20-10-7-15-30(17-20)23-25(28-14-13-27-23)34-22-12-5-4-8-18(22)2/h4-6,8-9,11-14,16,20H,3,7,10,15,17H2,1-2H3,(H,29,31)
InChIKeyNVAFIULJMYFXSR-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.61
Rot. Bonds7

About ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate

ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate (PubChem CID 46392484) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate
PubChem CID46392484
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Nameethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCN(c3nccnc3Oc3ccccc3C)C2)c1
InChIInChI=1S/C26H28N4O4/c1-3-33-26(32)19-9-6-11-21(16-19)29-24(31)20-10-7-15-30(17-20)23-25(28-14-13-27-23)34-22-12-5-4-8-18(22)2/h4-6,8-9,11-14,16,20H,3,7,10,15,17H2,1-2H3,(H,29,31)
InChIKeyNVAFIULJMYFXSR-UHFFFAOYSA-N
XLogP4.61
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897328
(3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897343
(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050500
(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050447
(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050515
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050474
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
(3R)-N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050385
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50836140
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382
(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 ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate (CID 46392484) is ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)C2CCCN(c3nccnc3Oc3ccccc3C)C2)c1.
What is the InChIKey of ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate?
The InChIKey is NVAFIULJMYFXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-3-33-26(32)19-9-6-11-21(16-19)29-24(31)20-10-7-15-30(17-20)23-25(28-14-13-27-23)34-22-12-5-4-8-18(22)2/h4-6,8-9,11-14,16,20H,3,7,10,15,17H2,1-2H3,(H,29,31).
What are the key properties of ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate?
ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate has a molecular weight of 460.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 46392484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).