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

C19H23N5O4 — CID 109286350

IUPACethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cnc(C(=O)Nc3ccc(OC)cc3)cn2)CC1
InChIInChI=1S/C19H23N5O4/c1-3-28-19(26)24-10-8-23(9-11-24)17-13-20-16(12-21-17)18(25)22-14-4-6-15(27-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyMNSBUFOQPLPEKE-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.02
Rot. Bonds5

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

ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate (PubChem CID 109286350) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
PubChem CID109286350
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Nameethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cnc(C(=O)Nc3ccc(OC)cc3)cn2)CC1
InChIInChI=1S/C19H23N5O4/c1-3-28-19(26)24-10-8-23(9-11-24)17-13-20-16(12-21-17)18(25)22-14-4-6-15(27-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyMNSBUFOQPLPEKE-UHFFFAOYSA-N
XLogP2.02
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
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CID 113014232
ethyl 4-[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174338
ethyl 4-[6-[(4-ethoxyphenyl)carbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109123840
ethyl 4-[5-[(2-methoxyphenyl)methylcarbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109282194
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352825
5-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109279251
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109275343
5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
CID 109279236
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate (CID 109286350) is ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cnc(C(=O)Nc3ccc(OC)cc3)cn2)CC1.
What is the InChIKey of ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate?
The InChIKey is MNSBUFOQPLPEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-3-28-19(26)24-10-8-23(9-11-24)17-13-20-16(12-21-17)18(25)22-14-4-6-15(27-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25).
What are the key properties of ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate?
ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[(4-methoxyphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 109286350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).