2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

C19H24N4O2 — CID 56818972

IUPAC2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC(COc2ccccc2)CC1)c1cnccn1
InChIInChI=1S/C19H24N4O2/c1-22(18-13-20-9-10-21-18)14-19(24)23-11-7-16(8-12-23)15-25-17-5-3-2-4-6-17/h2-6,9-10,13,16H,7-8,11-12,14-15H2,1H3
InChIKeyFZGAIDBGWLGFHE-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.23
Rot. Bonds6

About 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (PubChem CID 56818972) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
PubChem CID56818972
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC(COc2ccccc2)CC1)c1cnccn1
InChIInChI=1S/C19H24N4O2/c1-22(18-13-20-9-10-21-18)14-19(24)23-11-7-16(8-12-23)15-25-17-5-3-2-4-6-17/h2-6,9-10,13,16H,7-8,11-12,14-15H2,1H3
InChIKeyFZGAIDBGWLGFHE-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 56812296
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 94164222
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917
2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 97021453
2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 111446341
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide
CID 95151458

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (CID 56818972) is 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is CN(CC(=O)N1CCC(COc2ccccc2)CC1)c1cnccn1.
What is the InChIKey of 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is FZGAIDBGWLGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(18-13-20-9-10-21-18)14-19(24)23-11-7-16(8-12-23)15-25-17-5-3-2-4-6-17/h2-6,9-10,13,16H,7-8,11-12,14-15H2,1H3.
What are the key properties of 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56818972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).