2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

C24H29N5O2 — CID 54671240

IUPAC2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESCOC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C24H29N5O2/c1-30-19-8-16-29(17-9-19)23-24(26-13-12-25-23)31-20-10-14-28(15-11-20)22-7-6-18-4-2-3-5-21(18)27-22/h2-7,12-13,19-20H,8-11,14-17H2,1H3
InChIKeySXHKWAOUAIXJSN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (PubChem CID 54671240) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
PubChem CID54671240
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESCOC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C24H29N5O2/c1-30-19-8-16-29(17-9-19)23-24(26-13-12-25-23)31-20-10-14-28(15-11-20)22-7-6-18-4-2-3-5-21(18)27-22/h2-7,12-13,19-20H,8-11,14-17H2,1H3
InChIKeySXHKWAOUAIXJSN-UHFFFAOYSA-N
XLogP3.69
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The IUPAC name of 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (CID 54671240) is 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.
What is the SMILES notation for 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The canonical SMILES for 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is COC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1.
What is the InChIKey of 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The InChIKey is SXHKWAOUAIXJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-30-19-8-16-29(17-9-19)23-24(26-13-12-25-23)31-20-10-14-28(15-11-20)22-7-6-18-4-2-3-5-21(18)27-22/h2-7,12-13,19-20H,8-11,14-17H2,1H3.
What are the key properties of 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline has a molecular weight of 419.53 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is sourced from PubChem (CID 54671240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).