N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C12H17N3O4 — CID 66085926

IUPACN-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H17N3O4/c1-7-4-8(7)12(19)13-3-2-11(18)15-5-9(16)14-10(17)6-15/h7-8H,2-6H2,1H3,(H,13,19)(H,14,16,17)
InChIKeyOXMVXZXOUYBAQJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.37
Rot. Bonds4

About N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 66085926) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID66085926
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H17N3O4/c1-7-4-8(7)12(19)13-3-2-11(18)15-5-9(16)14-10(17)6-15/h7-8H,2-6H2,1H3,(H,13,19)(H,14,16,17)
InChIKeyOXMVXZXOUYBAQJ-UHFFFAOYSA-N
XLogP-1.37
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 66085926) is N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is OXMVXZXOUYBAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-4-8(7)12(19)13-3-2-11(18)15-5-9(16)14-10(17)6-15/h7-8H,2-6H2,1H3,(H,13,19)(H,14,16,17).
What are the key properties of N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 66085926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).