5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid

C15H21N3O5 — CID 68605879

IUPAC5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C15H21N3O5/c1-15(2,3)23-14(21)18-6-4-10(5-7-18)22-12-9-16-11(8-17-12)13(19)20/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyXVKFJUZZXAPPBH-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.95
Rot. Bonds3

About 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid

5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid (PubChem CID 68605879) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid
PubChem CID68605879
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C15H21N3O5/c1-15(2,3)23-14(21)18-6-4-10(5-7-18)22-12-9-16-11(8-17-12)13(19)20/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyXVKFJUZZXAPPBH-UHFFFAOYSA-N
XLogP1.95
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid (CID 68605879) is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(Oc2cnc(C(=O)O)cn2)CC1.
What is the InChIKey of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid?
The InChIKey is XVKFJUZZXAPPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-15(2,3)23-14(21)18-6-4-10(5-7-18)22-12-9-16-11(8-17-12)13(19)20/h8-10H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid?
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazine-2-carboxylic acid is sourced from PubChem (CID 68605879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).