methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate

C15H22N4O2 — CID 66449525

IUPACmethyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-21-15(20)13-10-16-11-14(17-13)19-8-6-18(7-9-19)12-4-2-3-5-12/h10-12H,2-9H2,1H3
InChIKeyOXEICSWLYKYJTJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.33
Rot. Bonds3

About methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate

methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate (PubChem CID 66449525) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
PubChem CID66449525
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Namemethyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-21-15(20)13-10-16-11-14(17-13)19-8-6-18(7-9-19)12-4-2-3-5-12/h10-12H,2-9H2,1H3
InChIKeyOXEICSWLYKYJTJ-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate (CID 66449525) is methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate?
The InChIKey is OXEICSWLYKYJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-15(20)13-10-16-11-14(17-13)19-8-6-18(7-9-19)12-4-2-3-5-12/h10-12H,2-9H2,1H3.
What are the key properties of methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate?
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66449525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).