1,4-dibutylpiperazine-2,5-dione

C12H22N2O2 — CID 19902955

IUPAC1,4-dibutylpiperazine-2,5-dione
SMILESCCCCN1CC(=O)N(CCCC)CC1=O
InChIInChI=1S/C12H22N2O2/c1-3-5-7-13-9-12(16)14(8-6-4-2)10-11(13)15/h3-10H2,1-2H3
InChIKeyQIOXACFQNYMKIY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.26
Rot. Bonds6

About 1,4-dibutylpiperazine-2,5-dione

1,4-dibutylpiperazine-2,5-dione (PubChem CID 19902955) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,4-dibutylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-dibutylpiperazine-2,5-dione
PubChem CID19902955
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1,4-dibutylpiperazine-2,5-dione
SMILESCCCCN1CC(=O)N(CCCC)CC1=O
InChIInChI=1S/C12H22N2O2/c1-3-5-7-13-9-12(16)14(8-6-4-2)10-11(13)15/h3-10H2,1-2H3
InChIKeyQIOXACFQNYMKIY-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-methylimidazolidine-2,4-dione;ethane
CID 176672470
1-propyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344649
azane;1-butylpiperazine-2,5-dione
CID 174744496
1-(9-bromononyl)-4-propylpiperazine-2,5-dione
CID 105343167
1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione
CID 79936044
1,3-dibutylimidazolidin-2-one
CID 20887
1-heptyl-3-methylimidazolidine-2,4-dione
CID 67719107
1,3-dipentylimidazolidin-4-one
CID 70598443
1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione
CID 79937288
5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid
CID 79936678
1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
CID 79937549
5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide
CID 79942052

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutylpiperazine-2,5-dione?
The IUPAC name of 1,4-dibutylpiperazine-2,5-dione (CID 19902955) is 1,4-dibutylpiperazine-2,5-dione.
What is the SMILES notation for 1,4-dibutylpiperazine-2,5-dione?
The canonical SMILES for 1,4-dibutylpiperazine-2,5-dione is CCCCN1CC(=O)N(CCCC)CC1=O.
What is the InChIKey of 1,4-dibutylpiperazine-2,5-dione?
The InChIKey is QIOXACFQNYMKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-5-7-13-9-12(16)14(8-6-4-2)10-11(13)15/h3-10H2,1-2H3.
What are the key properties of 1,4-dibutylpiperazine-2,5-dione?
1,4-dibutylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutylpiperazine-2,5-dione is sourced from PubChem (CID 19902955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).