(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone

C19H24N4O — CID 109283932

IUPAC(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
SMILESCC1CCCN(C(=O)c2cnc(NCCc3ccccc3)cn2)C1
InChIInChI=1S/C19H24N4O/c1-15-6-5-11-23(14-15)19(24)17-12-22-18(13-21-17)20-10-9-16-7-3-2-4-8-16/h2-4,7-8,12-13,15H,5-6,9-11,14H2,1H3,(H,20,22)
InChIKeyFQWPOWCHCYYOFT-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.00
Rot. Bonds5

About (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone

(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone (PubChem CID 109283932) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
PubChem CID109283932
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
SMILESCC1CCCN(C(=O)c2cnc(NCCc3ccccc3)cn2)C1
InChIInChI=1S/C19H24N4O/c1-15-6-5-11-23(14-15)19(24)17-12-22-18(13-21-17)20-10-9-16-7-3-2-4-8-16/h2-4,7-8,12-13,15H,5-6,9-11,14H2,1H3,(H,20,22)
InChIKeyFQWPOWCHCYYOFT-UHFFFAOYSA-N
XLogP3.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[2-(4-methoxyphenyl)ethylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109284918
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109283106
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275036
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109355144
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109099081
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275035
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109351298

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone (CID 109283932) is (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone is CC1CCCN(C(=O)c2cnc(NCCc3ccccc3)cn2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone?
The InChIKey is FQWPOWCHCYYOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-6-5-11-23(14-15)19(24)17-12-22-18(13-21-17)20-10-9-16-7-3-2-4-8-16/h2-4,7-8,12-13,15H,5-6,9-11,14H2,1H3,(H,20,22).
What are the key properties of (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone?
(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109283932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).