1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione

C16H29N3O2 — CID 107165375

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CC2(C)CCN(C)CC2)C1=O
InChIInChI=1S/C16H29N3O2/c1-5-12-15(21)19(13(6-2)14(20)17-12)11-16(3)7-9-18(4)10-8-16/h12-13H,5-11H2,1-4H3,(H,17,20)
InChIKeyDBPPWRKWLDVHBV-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.23
Rot. Bonds4

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione

1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione (PubChem CID 107165375) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
PubChem CID107165375
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CC2(C)CCN(C)CC2)C1=O
InChIInChI=1S/C16H29N3O2/c1-5-12-15(21)19(13(6-2)14(20)17-12)11-16(3)7-9-18(4)10-8-16/h12-13H,5-11H2,1-4H3,(H,17,20)
InChIKeyDBPPWRKWLDVHBV-UHFFFAOYSA-N
XLogP1.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one
CID 107165674
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylimidazolidin-4-one
CID 107165646
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 107165629
1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 114109548
3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
CID 64967485
3,6-diethyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960183
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64970352

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione (CID 107165375) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(CC2(C)CCN(C)CC2)C1=O.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione?
The InChIKey is DBPPWRKWLDVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-12-15(21)19(13(6-2)14(20)17-12)11-16(3)7-9-18(4)10-8-16/h12-13H,5-11H2,1-4H3,(H,17,20).
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione has a molecular weight of 295.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 107165375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).