lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate

C15H21LiN4O4 — CID 153347769

IUPAClithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)CN1CCN(c2cnc(C(=O)[O-])cn2)CC1.[Li+]
InChIInChI=1S/C15H22N4O4.Li/c1-15(2,3)23-13(20)10-18-4-6-19(7-5-18)12-9-16-11(8-17-12)14(21)22;/h8-9H,4-7,10H2,1-3H3,(H,21,22);/q;+1/p-1
InChIKeyLUENDFHBJIYCDQ-UHFFFAOYSA-M
MW328.30 g/mol
LogP-3.69
Rot. Bonds4

About lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate

lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate (PubChem CID 153347769) has the molecular formula C15H21LiN4O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namelithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate
PubChem CID153347769
Molecular FormulaC15H21LiN4O4
Molecular Weight328.30 g/mol
Exact Mass328.17
IUPAC Namelithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)CN1CCN(c2cnc(C(=O)[O-])cn2)CC1.[Li+]
InChIInChI=1S/C15H22N4O4.Li/c1-15(2,3)23-13(20)10-18-4-6-19(7-5-18)12-9-16-11(8-17-12)14(21)22;/h8-9H,4-7,10H2,1-3H3,(H,21,22);/q;+1/p-1
InChIKeyLUENDFHBJIYCDQ-UHFFFAOYSA-M
XLogP-3.69
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 5-3.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate (CID 153347769) is lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate is CC(C)(C)OC(=O)CN1CCN(c2cnc(C(=O)[O-])cn2)CC1.[Li+].
What is the InChIKey of lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate?
The InChIKey is LUENDFHBJIYCDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22N4O4.Li/c1-15(2,3)23-13(20)10-18-4-6-19(7-5-18)12-9-16-11(8-17-12)14(21)22;/h8-9H,4-7,10H2,1-3H3,(H,21,22);/q;+1/p-1.
What are the key properties of lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate?
lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate has a molecular weight of 328.30 g/mol, XLogP of -3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 153347769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).