3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione

C17H32N2O2 — CID 103465503

IUPAC3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)C)N(CC(C)(C)CC)C1=O
InChIInChI=1S/C17H32N2O2/c1-8-12(5)13-16(21)19(10-17(6,7)9-2)14(11(3)4)15(20)18-13/h11-14H,8-10H2,1-7H3,(H,18,20)
InChIKeyBGYSSDKZKKRBNO-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.82
Rot. Bonds6

About 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione

3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 103465503) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID103465503
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)C)N(CC(C)(C)CC)C1=O
InChIInChI=1S/C17H32N2O2/c1-8-12(5)13-16(21)19(10-17(6,7)9-2)14(11(3)4)15(20)18-13/h11-14H,8-10H2,1-7H3,(H,18,20)
InChIKeyBGYSSDKZKKRBNO-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 104766455
3-butan-2-yl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645603
1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 103465427
3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
3-butan-2-yl-6-methyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
CID 106329188
3,6-di(butan-2-yl)-1-[(E)-3-chloroprop-2-enyl]piperazine-2,5-dione
CID 107902198
1-(2-methylbutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64958231
3-butan-2-yl-6-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290775
3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione
CID 103065061
3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973556
6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64872817
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione (CID 103465503) is 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C(C)C)N(CC(C)(C)CC)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is BGYSSDKZKKRBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-8-12(5)13-16(21)19(10-17(6,7)9-2)14(11(3)4)15(20)18-13/h11-14H,8-10H2,1-7H3,(H,18,20).
What are the key properties of 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione?
3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 103465503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).