2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide

C15H26N4O3 — CID 1258791

IUPAC2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCN1C(=O)C[C@@H](N2CCN(CC(=O)NC(C)C)CC2)C1=O
InChIInChI=1S/C15H26N4O3/c1-4-19-14(21)9-12(15(19)22)18-7-5-17(6-8-18)10-13(20)16-11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyPQJPHELBDBOEIA-GFCCVEGCSA-N
MW310.40 g/mol
LogP-0.72
Rot. Bonds5

About 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 1258791) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID1258791
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCN1C(=O)C[C@@H](N2CCN(CC(=O)NC(C)C)CC2)C1=O
InChIInChI=1S/C15H26N4O3/c1-4-19-14(21)9-12(15(19)22)18-7-5-17(6-8-18)10-13(20)16-11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyPQJPHELBDBOEIA-GFCCVEGCSA-N
XLogP-0.72
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1221385
1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 710213
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
2-[4-ethyl-7-methyl-10-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122577878
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 57374023
2-(4-methoxypiperazin-1-yl)-N-propan-2-ylacetamide
CID 59857810
N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
CID 172511153
N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 75468309
(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 877553
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 1258791) is 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide is CCN1C(=O)C[C@@H](N2CCN(CC(=O)NC(C)C)CC2)C1=O.
What is the InChIKey of 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is PQJPHELBDBOEIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-4-19-14(21)9-12(15(19)22)18-7-5-17(6-8-18)10-13(20)16-11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20)/t12-/m1/s1.
What are the key properties of 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 310.40 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 1258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).