1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione

C11H21N3O2 — CID 79937209

IUPAC1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione
SMILESCCNC(CC)CN1CC(=O)N(C)CC1=O
InChIInChI=1S/C11H21N3O2/c1-4-9(12-5-2)6-14-8-10(15)13(3)7-11(14)16/h9,12H,4-8H2,1-3H3
InChIKeyKIGIIJXNMLBADP-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.32
Rot. Bonds5

About 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione

1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione (PubChem CID 79937209) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione
PubChem CID79937209
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione
SMILESCCNC(CC)CN1CC(=O)N(C)CC1=O
InChIInChI=1S/C11H21N3O2/c1-4-9(12-5-2)6-14-8-10(15)13(3)7-11(14)16/h9,12H,4-8H2,1-3H3
InChIKeyKIGIIJXNMLBADP-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Esaprazole
CID 68835
3,6-Dimethylpiperazine-2,5-dione
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1-((Pyrrolidine-1-carbonyl)methyl)piperazine
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1-Ethyl-2,3-piperazinedione
CID 108812
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
N-isopropyl-1-piperazineacetamide
CID 100826
N-butyl-2-(3-oxopiperazin-2-yl)acetamide
CID 2955610
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione (CID 79937209) is 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione is CCNC(CC)CN1CC(=O)N(C)CC1=O.
What is the InChIKey of 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione?
The InChIKey is KIGIIJXNMLBADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-9(12-5-2)6-14-8-10(15)13(3)7-11(14)16/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione?
1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione has a molecular weight of 227.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)butyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79937209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).