1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione

C12H22N2O3 — CID 79942754

IUPAC1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCC(C)(C)O)CC1=O
InChIInChI=1S/C12H22N2O3/c1-4-6-13-8-11(16)14(9-10(13)15)7-5-12(2,3)17/h17H,4-9H2,1-3H3
InChIKeyFCOOKSNXHYORIT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.23
Rot. Bonds5

About 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione

1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione (PubChem CID 79942754) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione
PubChem CID79942754
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCC(C)(C)O)CC1=O
InChIInChI=1S/C12H22N2O3/c1-4-6-13-8-11(16)14(9-10(13)15)7-5-12(2,3)17/h17H,4-9H2,1-3H3
InChIKeyFCOOKSNXHYORIT-UHFFFAOYSA-N
XLogP0.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
CID 79942486
1-(2-oxopentyl)-4-propylpiperazine-2,5-dione
CID 79941384
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one
CID 79361214
methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79936130
ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79937200
2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
CID 79936689
1-(9-bromononyl)-4-propylpiperazine-2,5-dione
CID 105343167
1-propyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344649
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione
CID 79936044
4-(2,5-dioxo-4-propylpiperazin-1-yl)-3-methylbut-2-enoic acid
CID 79936010

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione (CID 79942754) is 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CCC(C)(C)O)CC1=O.
What is the InChIKey of 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione?
The InChIKey is FCOOKSNXHYORIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-6-13-8-11(16)14(9-10(13)15)7-5-12(2,3)17/h17H,4-9H2,1-3H3.
What are the key properties of 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione?
1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79942754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).