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

C13H23N3O2 — CID 64966881

IUPAC3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CC2CCN(C)CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-3-11-13(18)16(9-12(17)14-11)8-10-4-6-15(2)7-5-10/h10-11H,3-9H2,1-2H3,(H,14,17)
InChIKeyIVYOBNLAJYTECT-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.07
Rot. Bonds3

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

3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione (PubChem CID 64966881) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
PubChem CID64966881
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CC2CCN(C)CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-3-11-13(18)16(9-12(17)14-11)8-10-4-6-15(2)7-5-10/h10-11H,3-9H2,1-2H3,(H,14,17)
InChIKeyIVYOBNLAJYTECT-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64967600
3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64967153
3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969
3-ethyl-1-pent-3-ynylpiperazine-2,5-dione
CID 116645631
1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967471
3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619345
3-ethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64963488
1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64963539
3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83250904
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one
CID 155150634
1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione
CID 79515396

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione (CID 64966881) is 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)CN(CC2CCN(C)CC2)C1=O.
What is the InChIKey of 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is IVYOBNLAJYTECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-11-13(18)16(9-12(17)14-11)8-10-4-6-15(2)7-5-10/h10-11H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione?
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 253.35 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64966881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).