3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione

C15H19N3O2 — CID 64962391

IUPAC3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C15H19N3O2/c1-10-14(19)17-13(11-5-6-11)15(20)18(10)9-7-12-4-2-3-8-16-12/h2-4,8,10-11,13H,5-7,9H2,1H3,(H,17,19)
InChIKeyBDCORCJRVRMSKD-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.75
Rot. Bonds4

About 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione

3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione (PubChem CID 64962391) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
PubChem CID64962391
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C15H19N3O2/c1-10-14(19)17-13(11-5-6-11)15(20)18(10)9-7-12-4-2-3-8-16-12/h2-4,8,10-11,13H,5-7,9H2,1H3,(H,17,19)
InChIKeyBDCORCJRVRMSKD-UHFFFAOYSA-N
XLogP0.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962323
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332
3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64885072
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
3-cyclopropyl-1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
CID 64960096
3-ethyl-2-(2-pyridin-2-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923670
(3R,6S,9R,12R)-6-cyclopropyl-3,8,9-trimethyl-12-(pyridin-2-ylmethyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 24969950
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134
3-cyclopropyl-6-propan-2-yl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971209
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione (CID 64962391) is 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione is CC1C(=O)NC(C2CC2)C(=O)N1CCc1ccccn1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
The InChIKey is BDCORCJRVRMSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-14(19)17-13(11-5-6-11)15(20)18(10)9-7-12-4-2-3-8-16-12/h2-4,8,10-11,13H,5-7,9H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione has a molecular weight of 273.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64962391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).