(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone

C17H22N4O2 — CID 167842213

IUPAC(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone
SMILESCc1cn2ccnc(C(=O)N3CCC(O)(C4CCC4)CC3)c2n1
InChIInChI=1S/C17H22N4O2/c1-12-11-21-10-7-18-14(15(21)19-12)16(22)20-8-5-17(23,6-9-20)13-3-2-4-13/h7,10-11,13,23H,2-6,8-9H2,1H3
InChIKeyWINSKAIEYIRAQO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.80
Rot. Bonds2

About (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone

(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone (PubChem CID 167842213) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone.

Molecular Properties

Compound Name(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone
PubChem CID167842213
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone
SMILESCc1cn2ccnc(C(=O)N3CCC(O)(C4CCC4)CC3)c2n1
InChIInChI=1S/C17H22N4O2/c1-12-11-21-10-7-18-14(15(21)19-12)16(22)20-8-5-17(23,6-9-20)13-3-2-4-13/h7,10-11,13,23H,2-6,8-9H2,1H3
InChIKeyWINSKAIEYIRAQO-UHFFFAOYSA-N
XLogP1.80
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone?
The IUPAC name of (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone (CID 167842213) is (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone.
What is the SMILES notation for (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone?
The canonical SMILES for (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone is Cc1cn2ccnc(C(=O)N3CCC(O)(C4CCC4)CC3)c2n1.
What is the InChIKey of (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone?
The InChIKey is WINSKAIEYIRAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-11-21-10-7-18-14(15(21)19-12)16(22)20-8-5-17(23,6-9-20)13-3-2-4-13/h7,10-11,13,23H,2-6,8-9H2,1H3.
What are the key properties of (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone?
(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-methylimidazo[1,2-a]pyrazin-8-yl)methanone is sourced from PubChem (CID 167842213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).