2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone

C15H24N4O2 — CID 79782287

IUPAC2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCNCc1ccc(OCC(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C15H24N4O2/c1-3-16-10-13-4-5-14(11-17-13)21-12-15(20)19-8-6-18(2)7-9-19/h4-5,11,16H,3,6-10,12H2,1-2H3
InChIKeyWCMCAZPEBYMJLE-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.34
Rot. Bonds6

About 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone

2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 79782287) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID79782287
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCNCc1ccc(OCC(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C15H24N4O2/c1-3-16-10-13-4-5-14(11-17-13)21-12-15(20)19-8-6-18(2)7-9-19/h4-5,11,16H,3,6-10,12H2,1-2H3
InChIKeyWCMCAZPEBYMJLE-UHFFFAOYSA-N
XLogP0.34
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
CID 79775446
2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43278350
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 54909269
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone
CID 79800097
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-propoxyphenoxy)ethanone
CID 112791371
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2-[4-(aminomethyl)phenoxy]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 28744964
2-(3-butoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 4733176
N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776242

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone (CID 79782287) is 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone is CCNCc1ccc(OCC(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is WCMCAZPEBYMJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-16-10-13-4-5-14(11-17-13)21-12-15(20)19-8-6-18(2)7-9-19/h4-5,11,16H,3,6-10,12H2,1-2H3.
What are the key properties of 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone?
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 79782287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).