4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide

C16H28N4O4 — CID 20955370

IUPAC4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOCCN1CCN(C2CCN(C(=O)NC(C)C)CC2)C(=O)C1=O
InChIInChI=1S/C16H28N4O4/c1-12(2)17-16(23)19-6-4-13(5-7-19)20-9-8-18(10-11-24-3)14(21)15(20)22/h12-13H,4-11H2,1-3H3,(H,17,23)
InChIKeyRMFVTWYHOWIGFB-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.11
Rot. Bonds5

About 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide

4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 20955370) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID20955370
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOCCN1CCN(C2CCN(C(=O)NC(C)C)CC2)C(=O)C1=O
InChIInChI=1S/C16H28N4O4/c1-12(2)17-16(23)19-6-4-13(5-7-19)20-9-8-18(10-11-24-3)14(21)15(20)22/h12-13H,4-11H2,1-3H3,(H,17,23)
InChIKeyRMFVTWYHOWIGFB-UHFFFAOYSA-N
XLogP-0.11
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 20955370) is 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide is COCCN1CCN(C2CCN(C(=O)NC(C)C)CC2)C(=O)C1=O.
What is the InChIKey of 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is RMFVTWYHOWIGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-12(2)17-16(23)19-6-4-13(5-7-19)20-9-8-18(10-11-24-3)14(21)15(20)22/h12-13H,4-11H2,1-3H3,(H,17,23).
What are the key properties of 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 20955370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).