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

C16H19N3O2 — CID 64885072

IUPAC3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(Cc2ccccn2)C1C1CC1
InChIInChI=1S/C16H19N3O2/c20-15-14(11-6-7-11)19(9-12-3-1-2-8-17-12)16(21)13(18-15)10-4-5-10/h1-3,8,10-11,13-14H,4-7,9H2,(H,18,20)
InChIKeyHGZPDAIJOYRERH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.10
Rot. Bonds4

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

3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64885072) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
PubChem CID64885072
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(Cc2ccccn2)C1C1CC1
InChIInChI=1S/C16H19N3O2/c20-15-14(11-6-7-11)19(9-12-3-1-2-8-17-12)16(21)13(18-15)10-4-5-10/h1-3,8,10-11,13-14H,4-7,9H2,(H,18,20)
InChIKeyHGZPDAIJOYRERH-UHFFFAOYSA-N
XLogP1.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962391
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64880281
3-ethyl-7-methyl-1-(pyridin-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64884616
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64885637
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 73340193
3-methyl-1-(pyridin-2-ylmethyl)-1,4-diazocan-2-one
CID 117016241
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione (CID 64885072) is 3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione is O=C1NC(C2CC2)C(=O)N(Cc2ccccn2)C1C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is HGZPDAIJOYRERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15-14(11-6-7-11)19(9-12-3-1-2-8-17-12)16(21)13(18-15)10-4-5-10/h1-3,8,10-11,13-14H,4-7,9H2,(H,18,20).
What are the key properties of 3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 285.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).