1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione

C12H23N3O2 — CID 79937214

IUPAC1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(CC)NC)CC1=O
InChIInChI=1S/C12H23N3O2/c1-4-6-14-8-12(17)15(9-11(14)16)7-10(5-2)13-3/h10,13H,4-9H2,1-3H3
InChIKeyYUCUZXWSSGEBDV-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds6

About 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione

1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione (PubChem CID 79937214) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione
PubChem CID79937214
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(CC)NC)CC1=O
InChIInChI=1S/C12H23N3O2/c1-4-6-14-8-12(17)15(9-11(14)16)7-10(5-2)13-3/h10,13H,4-9H2,1-3H3
InChIKeyYUCUZXWSSGEBDV-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione (CID 79937214) is 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CC(CC)NC)CC1=O.
What is the InChIKey of 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione?
The InChIKey is YUCUZXWSSGEBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-6-14-8-12(17)15(9-11(14)16)7-10(5-2)13-3/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione?
1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione has a molecular weight of 241.33 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79937214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).