6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione

C13H17N3O2 — CID 64970020

IUPAC6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1ccc(C)nc1
InChIInChI=1S/C13H17N3O2/c1-3-11-13(18)15-7-12(17)16(11)8-10-5-4-9(2)14-6-10/h4-6,11H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyYBUASLYXYNEONV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.63
Rot. Bonds3

About 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione

6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 64970020) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID64970020
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1ccc(C)nc1
InChIInChI=1S/C13H17N3O2/c1-3-11-13(18)15-7-12(17)16(11)8-10-5-4-9(2)14-6-10/h4-6,11H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyYBUASLYXYNEONV-UHFFFAOYSA-N
XLogP0.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nicaraven
CID 71234
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
Tagorizine
CID 6436051
UR-12460
CID 9889404
Lsn2463359
CID 72551298
Kdoam-25
CID 91810435
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23646451
1-(3-(N-(Methoxycarbonyl)amino)-3-phenylpropanoyl)-4-((2-methyl-3-pyridyl)cyanomethyl)piperazine
CID 3025824
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130
(2S)-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-(pyridin-2-ylmethylamino)pentanamide
CID 146970182

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (CID 64970020) is 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1Cc1ccc(C)nc1.
What is the InChIKey of 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is YBUASLYXYNEONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-11-13(18)15-7-12(17)16(11)8-10-5-4-9(2)14-6-10/h4-6,11H,3,7-8H2,1-2H3,(H,15,18).
What are the key properties of 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64970020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).