3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione

C16H29N3O2 — CID 114516865

IUPAC3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCC2CCN(C)CC2)C1=O
InChIInChI=1S/C16H29N3O2/c1-4-12(2)15-16(21)19(11-14(20)17-15)10-7-13-5-8-18(3)9-6-13/h12-13,15H,4-11H2,1-3H3,(H,17,20)
InChIKeyKDXXNKWYFDYHJF-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.09
Rot. Bonds5

About 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione

3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 114516865) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
PubChem CID114516865
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCC2CCN(C)CC2)C1=O
InChIInChI=1S/C16H29N3O2/c1-4-12(2)15-16(21)19(11-14(20)17-15)10-7-13-5-8-18(3)9-6-13/h12-13,15H,4-11H2,1-3H3,(H,17,20)
InChIKeyKDXXNKWYFDYHJF-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881503
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-1-but-3-ynylpiperazine-2,5-dione
CID 64972451
3-butan-2-yl-1-(1-methylpiperidin-4-yl)-1,4-diazepane-2,5-dione
CID 64960078
3-butan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64881308
3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970385
3-butan-2-yl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64878609
3-butan-2-yl-1-(2-methylbutan-2-yl)piperazine-2,5-dione
CID 64958198
1-(2-cyclopentylethyl)-3-methylpiperazine-2,5-dione
CID 64964119
3-butan-2-yl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960454

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione (CID 114516865) is 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione is CCC(C)C1NC(=O)CN(CCC2CCN(C)CC2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is KDXXNKWYFDYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-12(2)15-16(21)19(11-14(20)17-15)10-7-13-5-8-18(3)9-6-13/h12-13,15H,4-11H2,1-3H3,(H,17,20).
What are the key properties of 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione?
3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 295.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 114516865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).