(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone

C14H16N4O — CID 116564790

IUPAC(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)c1cccn1C1CCNCC1
InChIInChI=1S/C14H16N4O/c19-14(12-10-16-7-8-17-12)13-2-1-9-18(13)11-3-5-15-6-4-11/h1-2,7-11,15H,3-6H2
InChIKeyBGDYKQMPURNJJS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.43
Rot. Bonds3

About (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone

(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone (PubChem CID 116564790) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone
PubChem CID116564790
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)c1cccn1C1CCNCC1
InChIInChI=1S/C14H16N4O/c19-14(12-10-16-7-8-17-12)13-2-1-9-18(13)11-3-5-15-6-4-11/h1-2,7-11,15H,3-6H2
InChIKeyBGDYKQMPURNJJS-UHFFFAOYSA-N
XLogP1.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone (CID 116564790) is (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)c1cccn1C1CCNCC1.
What is the InChIKey of (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone?
The InChIKey is BGDYKQMPURNJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(12-10-16-7-8-17-12)13-2-1-9-18(13)11-3-5-15-6-4-11/h1-2,7-11,15H,3-6H2.
What are the key properties of (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone?
(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 116564790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).