4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one

C13H20N4O — CID 63602695

IUPAC4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1Cc1cccnc1CN
InChIInChI=1S/C13H20N4O/c1-2-12-13(18)16-6-7-17(12)9-10-4-3-5-15-11(10)8-14/h3-5,12H,2,6-9,14H2,1H3,(H,16,18)
InChIKeyBUCHDDKRSCPLDD-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.25
Rot. Bonds4

About 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one

4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one (PubChem CID 63602695) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one
PubChem CID63602695
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1Cc1cccnc1CN
InChIInChI=1S/C13H20N4O/c1-2-12-13(18)16-6-7-17(12)9-10-4-3-5-15-11(10)8-14/h3-5,12H,2,6-9,14H2,1H3,(H,16,18)
InChIKeyBUCHDDKRSCPLDD-UHFFFAOYSA-N
XLogP0.25
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63888466
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
3-ethyl-4-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperazin-2-one
CID 63601549
(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one
CID 129395126
(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
CID 99929898
6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909271
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895699
4-[3-(aminomethyl)-2-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 66068862
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723540
3-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carbothioamide
CID 66067734
(3S)-4-[(8-chloroquinolin-2-yl)methyl]-3-ethylpiperazin-2-one
CID 99935353
2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63602887

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one (CID 63602695) is 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1Cc1cccnc1CN.
What is the InChIKey of 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one?
The InChIKey is BUCHDDKRSCPLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-12-13(18)16-6-7-17(12)9-10-4-3-5-15-11(10)8-14/h3-5,12H,2,6-9,14H2,1H3,(H,16,18).
What are the key properties of 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one?
4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63602695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).