3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione

C16H17N3O2 — CID 64880979

IUPAC3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(Cc2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-2-13-16(21)19(10-15(20)18-13)9-11-5-6-14-12(8-11)4-3-7-17-14/h3-8,13H,2,9-10H2,1H3,(H,18,20)
InChIKeyIKAQDISAUCTVKN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.47
Rot. Bonds3

About 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione

3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione (PubChem CID 64880979) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
PubChem CID64880979
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(Cc2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-2-13-16(21)19(10-15(20)18-13)9-11-5-6-14-12(8-11)4-3-7-17-14/h3-8,13H,2,9-10H2,1H3,(H,18,20)
InChIKeyIKAQDISAUCTVKN-UHFFFAOYSA-N
XLogP1.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(quinolin-6-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881992
1-[(4-chlorophenyl)methyl]-3-ethylpiperazine-2,5-dione
CID 64879991
3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione
CID 64969768
3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
CID 64969744
(7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56860265
1-[(5-bromo-3-pyridinyl)methyl]-3-ethylpiperazine-2,5-dione
CID 104812805
1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one
CID 65362005
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
3-ethyl-N-methyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 114507998
1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64967691

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione (CID 64880979) is 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione is CCC1NC(=O)CN(Cc2ccc3ncccc3c2)C1=O.
What is the InChIKey of 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione?
The InChIKey is IKAQDISAUCTVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-13-16(21)19(10-15(20)18-13)9-11-5-6-14-12(8-11)4-3-7-17-14/h3-8,13H,2,9-10H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione?
3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64880979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).