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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Related Compounds

4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one
CID 117030719
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979101
3-methyl-1-(pyrrolidin-3-ylmethyl)-1,4-diazepan-2-one
CID 115102005
7-methyl-1-propyl-1,5-diazocan-2-one
CID 117014854
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione
CID 79942754
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one
CID 105434511
1,4-dibutylpiperazine-2,5-dione
CID 19902955
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
2-(pyrrolidin-3-ylmethyl)oxazinan-3-one
CID 105441244
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372

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).