ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate

C20H25N5O4 — CID 109282194

IUPACethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cnc(C(=O)NCc3ccccc3OC)cn2)CC1
InChIInChI=1S/C20H25N5O4/c1-3-29-20(27)25-10-8-24(9-11-25)18-14-21-16(13-22-18)19(26)23-12-15-6-4-5-7-17(15)28-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,26)
InChIKeyGEZUGFGISIPQFW-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.69
Rot. Bonds6

About ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate

ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate (PubChem CID 109282194) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
PubChem CID109282194
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Nameethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cnc(C(=O)NCc3ccccc3OC)cn2)CC1
InChIInChI=1S/C20H25N5O4/c1-3-29-20(27)25-10-8-24(9-11-25)18-14-21-16(13-22-18)19(26)23-12-15-6-4-5-7-17(15)28-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,26)
InChIKeyGEZUGFGISIPQFW-UHFFFAOYSA-N
XLogP1.69
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282193
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109155083
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286350
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
N-[2-(2-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276596
ethyl 4-[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109156537
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275219
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109286431
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279162
N-[(2-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183440

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate (CID 109282194) is ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cnc(C(=O)NCc3ccccc3OC)cn2)CC1.
What is the InChIKey of ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate?
The InChIKey is GEZUGFGISIPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-3-29-20(27)25-10-8-24(9-11-25)18-14-21-16(13-22-18)19(26)23-12-15-6-4-5-7-17(15)28-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,26).
What are the key properties of ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate?
ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 109282194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).