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

C15H21N3O2 — CID 64900851

IUPAC6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1Cc1cccnc1
InChIInChI=1S/C15H21N3O2/c1-5-15(4)12(19)17-14(2,3)13(20)18(15)10-11-7-6-8-16-9-11/h6-9H,5,10H2,1-4H3,(H,17,19)
InChIKeyMPVAKVWYTJUFSO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.49
Rot. Bonds3

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

6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64900851) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
PubChem CID64900851
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1Cc1cccnc1
InChIInChI=1S/C15H21N3O2/c1-5-15(4)12(19)17-14(2,3)13(20)18(15)10-11-7-6-8-16-9-11/h6-9H,5,10H2,1-4H3,(H,17,19)
InChIKeyMPVAKVWYTJUFSO-UHFFFAOYSA-N
XLogP1.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64902761
3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901097
6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871729
5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115946533
3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 117023878
3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione
CID 66069619
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571
3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879746
3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one
CID 572155
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione
CID 64901606
5,5-dimethyl-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 70760964

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione (CID 64900851) is 6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione is CCC1(C)C(=O)NC(C)(C)C(=O)N1Cc1cccnc1.
What is the InChIKey of 6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is MPVAKVWYTJUFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-15(4)12(19)17-14(2,3)13(20)18(15)10-11-7-6-8-16-9-11/h6-9H,5,10H2,1-4H3,(H,17,19).
What are the key properties of 6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64900851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).