[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone

C19H24N4O — CID 109274289

IUPAC[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-2-22(15-16-9-5-3-6-10-16)18-14-20-17(13-21-18)19(24)23-11-7-4-8-12-23/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3
InChIKeyZCDVXXCVKWHMIF-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.13
Rot. Bonds5

About [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone

[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 109274289) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID109274289
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-2-22(15-16-9-5-3-6-10-16)18-14-20-17(13-21-18)19(24)23-11-7-4-8-12-23/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3
InChIKeyZCDVXXCVKWHMIF-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274357
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109279650
1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155193
(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone
CID 109288460
5-(dibenzylamino)pyrazine-2-carboxamide
CID 69290218
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281796
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302213
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109282875

Frequently Asked Questions

What is the IUPAC name of [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone (CID 109274289) is [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone is CCN(Cc1ccccc1)c1cnc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ZCDVXXCVKWHMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-22(15-16-9-5-3-6-10-16)18-14-20-17(13-21-18)19(24)23-11-7-4-8-12-23/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3.
What are the key properties of [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone?
[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 324.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109274289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).