1-(oxolan-2-ylmethyl)piperazine-2,6-dione

C9H14N2O3 — CID 64982518

IUPAC1-(oxolan-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CC1CCCO1
InChIInChI=1S/C9H14N2O3/c12-8-4-10-5-9(13)11(8)6-7-2-1-3-14-7/h7,10H,1-6H2
InChIKeyHCDWEUIFTQLLEI-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.88
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)piperazine-2,6-dione

1-(oxolan-2-ylmethyl)piperazine-2,6-dione (PubChem CID 64982518) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)piperazine-2,6-dione
PubChem CID64982518
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(oxolan-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CC1CCCO1
InChIInChI=1S/C9H14N2O3/c12-8-4-10-5-9(13)11(8)6-7-2-1-3-14-7/h7,10H,1-6H2
InChIKeyHCDWEUIFTQLLEI-UHFFFAOYSA-N
XLogP-0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 7026051
3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 103601172
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65362289
1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one
CID 117014385
(3aR,7aR)-2-[[(2R)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7127018
2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 129372530
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
(4R)-4-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-2-one
CID 28815490
4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 168687103
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
CID 66076059
2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 82401859

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 1-(oxolan-2-ylmethyl)piperazine-2,6-dione (CID 64982518) is 1-(oxolan-2-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 1-(oxolan-2-ylmethyl)piperazine-2,6-dione is O=C1CNCC(=O)N1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)piperazine-2,6-dione?
The InChIKey is HCDWEUIFTQLLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-4-10-5-9(13)11(8)6-7-2-1-3-14-7/h7,10H,1-6H2.
What are the key properties of 1-(oxolan-2-ylmethyl)piperazine-2,6-dione?
1-(oxolan-2-ylmethyl)piperazine-2,6-dione has a molecular weight of 198.22 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 64982518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).