methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate

C15H18N4O3 — CID 133398917

IUPACmethyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate
SMILESCOC(=O)C(O)C1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C15H18N4O3/c1-22-15(21)13(20)10-4-8-19(9-5-10)12-3-2-11-14(18-12)17-7-6-16-11/h2-3,6-7,10,13,20H,4-5,8-9H2,1H3
InChIKeyRLUSVIXVAOZLAP-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.78
Rot. Bonds3

About methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate

methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate (PubChem CID 133398917) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate
PubChem CID133398917
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Namemethyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate
SMILESCOC(=O)C(O)C1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C15H18N4O3/c1-22-15(21)13(20)10-4-8-19(9-5-10)12-3-2-11-14(18-12)17-7-6-16-11/h2-3,6-7,10,13,20H,4-5,8-9H2,1H3
InChIKeyRLUSVIXVAOZLAP-UHFFFAOYSA-N
XLogP0.78
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate (CID 133398917) is methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate is COC(=O)C(O)C1CCN(c2ccc3nccnc3n2)CC1.
What is the InChIKey of methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate?
The InChIKey is RLUSVIXVAOZLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-22-15(21)13(20)10-4-8-19(9-5-10)12-3-2-11-14(18-12)17-7-6-16-11/h2-3,6-7,10,13,20H,4-5,8-9H2,1H3.
What are the key properties of methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate?
methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate has a molecular weight of 302.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)acetate is sourced from PubChem (CID 133398917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).