(3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate

C22H22N4O3 — CID 6735256

IUPAC(3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate
SMILESO=C(OCc1cccc(Oc2ccccc2)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H22N4O3/c27-22(26-13-11-25(12-14-26)21-16-23-9-10-24-21)28-17-18-5-4-8-20(15-18)29-19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2
InChIKeyJPDKSRYZTAPRBT-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.73
Rot. Bonds5

About (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate

(3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate (PubChem CID 6735256) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate
PubChem CID6735256
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name(3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate
SMILESO=C(OCc1cccc(Oc2ccccc2)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H22N4O3/c27-22(26-13-11-25(12-14-26)21-16-23-9-10-24-21)28-17-18-5-4-8-20(15-18)29-19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2
InChIKeyJPDKSRYZTAPRBT-UHFFFAOYSA-N
XLogP3.73
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate
CID 133397587
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
benzyl aziridine-1-carboxylate;silane
CID 158496499
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
benzyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate
CID 133397558
benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
CID 110645892
(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024012
2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 79346353

Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate?
The IUPAC name of (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate (CID 6735256) is (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate?
The canonical SMILES for (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate is O=C(OCc1cccc(Oc2ccccc2)c1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate?
The InChIKey is JPDKSRYZTAPRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-22(26-13-11-25(12-14-26)21-16-23-9-10-24-21)28-17-18-5-4-8-20(15-18)29-19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2.
What are the key properties of (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate?
(3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)methyl 4-pyrazin-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 6735256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).