4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide

C17H24N6O7 — CID 54165696

IUPAC4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC(C=O)NC(=O)N2CCN(CC)C(=O)C2=O)C(=O)C1=O
InChIInChI=1S/C17H24N6O7/c1-3-20-5-7-22(14(27)12(20)25)16(29)18-9-11(10-24)19-17(30)23-8-6-21(4-2)13(26)15(23)28/h10-11H,3-9H2,1-2H3,(H,18,29)(H,19,30)
InChIKeyIQLYVKPZPDKMOC-UHFFFAOYSA-N
MW424.41 g/mol
LogP-2.65
Rot. Bonds6

About 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide

4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide (PubChem CID 54165696) has the molecular formula C17H24N6O7 and a molecular weight of 424.41 g/mol. Its IUPAC name is 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide
PubChem CID54165696
Molecular FormulaC17H24N6O7
Molecular Weight424.41 g/mol
Exact Mass424.17
IUPAC Name4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC(C=O)NC(=O)N2CCN(CC)C(=O)C2=O)C(=O)C1=O
InChIInChI=1S/C17H24N6O7/c1-3-20-5-7-22(14(27)12(20)25)16(29)18-9-11(10-24)19-17(30)23-8-6-21(4-2)13(26)15(23)28/h10-11H,3-9H2,1-2H3,(H,18,29)(H,19,30)
InChIKeyIQLYVKPZPDKMOC-UHFFFAOYSA-N
XLogP-2.65
TPSA156.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 5-2.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide (CID 54165696) is 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide is CCN1CCN(C(=O)NCC(C=O)NC(=O)N2CCN(CC)C(=O)C2=O)C(=O)C1=O.
What is the InChIKey of 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide?
The InChIKey is IQLYVKPZPDKMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O7/c1-3-20-5-7-22(14(27)12(20)25)16(29)18-9-11(10-24)19-17(30)23-8-6-21(4-2)13(26)15(23)28/h10-11H,3-9H2,1-2H3,(H,18,29)(H,19,30).
What are the key properties of 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide?
4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide has a molecular weight of 424.41 g/mol, XLogP of -2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 54165696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).