1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

C20H32N4O5 — CID 55607350

IUPAC1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H32N4O5/c1-20(2,3)19(28)24-6-4-5-15(24)16(25)21-7-9-22(10-8-21)17(26)18(27)23-11-13-29-14-12-23/h15H,4-14H2,1-3H3
InChIKeyNTORYRUXVPRCMU-UHFFFAOYSA-N
MW408.50 g/mol
LogP-0.45
Rot. Bonds1

About 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 55607350) has the molecular formula C20H32N4O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID55607350
Molecular FormulaC20H32N4O5
Molecular Weight408.50 g/mol
Exact Mass408.24
IUPAC Name1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H32N4O5/c1-20(2,3)19(28)24-6-4-5-15(24)16(25)21-7-9-22(10-8-21)17(26)18(27)23-11-13-29-14-12-23/h15H,4-14H2,1-3H3
InChIKeyNTORYRUXVPRCMU-UHFFFAOYSA-N
XLogP-0.45
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (CID 55607350) is 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is CC(C)(C)C(=O)N1CCCC1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is NTORYRUXVPRCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O5/c1-20(2,3)19(28)24-6-4-5-15(24)16(25)21-7-9-22(10-8-21)17(26)18(27)23-11-13-29-14-12-23/h15H,4-14H2,1-3H3.
What are the key properties of 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 408.50 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 55607350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).