3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione

C15H27N3O2 — CID 64963527

IUPAC3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC2CCN(C)C2)C1=O
InChIInChI=1S/C15H27N3O2/c1-5-12-15(20)18(9-11-6-7-17(4)8-11)13(10(2)3)14(19)16-12/h10-13H,5-9H2,1-4H3,(H,16,19)
InChIKeyAVCUVFHKKVTIAW-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.70
Rot. Bonds4

About 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64963527) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64963527
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC2CCN(C)C2)C1=O
InChIInChI=1S/C15H27N3O2/c1-5-12-15(20)18(9-11-6-7-17(4)8-11)13(10(2)3)14(19)16-12/h10-13H,5-9H2,1-4H3,(H,16,19)
InChIKeyAVCUVFHKKVTIAW-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 79071601
5-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83255713
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902
3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967664
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
CID 64967485
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
3-ethyl-1-[(5-methyloxolan-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 103141807
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 115943732
3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64972041

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64963527) is 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(CC2CCN(C)C2)C1=O.
What is the InChIKey of 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is AVCUVFHKKVTIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-12-15(20)18(9-11-6-7-17(4)8-11)13(10(2)3)14(19)16-12/h10-13H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64963527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).