[6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C21H26N4O2 — CID 56721787

IUPAC[6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(Oc2ccccc2CN2CCCCC2)n1)N1CCCC1
InChIInChI=1S/C21H26N4O2/c26-21(25-12-6-7-13-25)18-14-22-15-20(23-18)27-19-9-3-2-8-17(19)16-24-10-4-1-5-11-24/h2-3,8-9,14-15H,1,4-7,10-13,16H2
InChIKeyZUSACDJMOQNCSK-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.49
Rot. Bonds5

About [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56721787) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56721787
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name[6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(Oc2ccccc2CN2CCCCC2)n1)N1CCCC1
InChIInChI=1S/C21H26N4O2/c26-21(25-12-6-7-13-25)18-14-22-15-20(23-18)27-19-9-3-2-8-17(19)16-24-10-4-1-5-11-24/h2-3,8-9,14-15H,1,4-7,10-13,16H2
InChIKeyZUSACDJMOQNCSK-UHFFFAOYSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56721787) is [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(Oc2ccccc2CN2CCCCC2)n1)N1CCCC1.
What is the InChIKey of [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZUSACDJMOQNCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(25-12-6-7-13-25)18-14-22-15-20(23-18)27-19-9-3-2-8-17(19)16-24-10-4-1-5-11-24/h2-3,8-9,14-15H,1,4-7,10-13,16H2.
What are the key properties of [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 366.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56721787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).