1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione

C12H21N3O2 — CID 79942296

IUPAC1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC2CCNC2)CC1=O
InChIInChI=1S/C12H21N3O2/c1-2-5-14-8-12(17)15(9-11(14)16)7-10-3-4-13-6-10/h10,13H,2-9H2,1H3
InChIKeyWSZYYVMMHHIMHG-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.32
Rot. Bonds4

About 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione

1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione (PubChem CID 79942296) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione
PubChem CID79942296
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC2CCNC2)CC1=O
InChIInChI=1S/C12H21N3O2/c1-2-5-14-8-12(17)15(9-11(14)16)7-10-3-4-13-6-10/h10,13H,2-9H2,1H3
InChIKeyWSZYYVMMHHIMHG-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione (CID 79942296) is 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione is CCCN1CC(=O)N(CC2CCNC2)CC1=O.
What is the InChIKey of 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is WSZYYVMMHHIMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-5-14-8-12(17)15(9-11(14)16)7-10-3-4-13-6-10/h10,13H,2-9H2,1H3.
What are the key properties of 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione?
1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 239.32 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 79942296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).