4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione

C16H25N5O5 — CID 14100461

IUPAC4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione
SMILESCC(CN1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C16H25N5O5/c1-12(20-7-13(22)17-14(23)8-20)6-19-9-15(24)21(16(25)10-19)11-18-2-4-26-5-3-18/h12H,2-11H2,1H3,(H,17,22,23)
InChIKeyIIBFTZRNIXFDEO-UHFFFAOYSA-N
MW367.41 g/mol
LogP-2.71
Rot. Bonds5

About 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione

4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione (PubChem CID 14100461) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione
PubChem CID14100461
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC Name4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione
SMILESCC(CN1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C16H25N5O5/c1-12(20-7-13(22)17-14(23)8-20)6-19-9-15(24)21(16(25)10-19)11-18-2-4-26-5-3-18/h12H,2-11H2,1H3,(H,17,22,23)
InChIKeyIIBFTZRNIXFDEO-UHFFFAOYSA-N
XLogP-2.71
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione (CID 14100461) is 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione is CC(CN1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione?
The InChIKey is IIBFTZRNIXFDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O5/c1-12(20-7-13(22)17-14(23)8-20)6-19-9-15(24)21(16(25)10-19)11-18-2-4-26-5-3-18/h12H,2-11H2,1H3,(H,17,22,23).
What are the key properties of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione?
4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione has a molecular weight of 367.41 g/mol, XLogP of -2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dioxopiperazin-1-yl)propyl]-1-(morpholin-4-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 14100461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).