1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione

C21H33N5O4 — CID 55802329

IUPAC1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1)N1CCCC1
InChIInChI=1S/C21H33N5O4/c27-18(17-5-11-26(12-6-17)21(30)25-9-3-4-10-25)23-13-15-24(16-14-23)20(29)19(28)22-7-1-2-8-22/h17H,1-16H2
InChIKeyHDUZSLLHHLVTOS-UHFFFAOYSA-N
MW419.53 g/mol
LogP0.21
Rot. Bonds1

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

1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 55802329) has the molecular formula C21H33N5O4 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID55802329
Molecular FormulaC21H33N5O4
Molecular Weight419.53 g/mol
Exact Mass419.25
IUPAC Name1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1)N1CCCC1
InChIInChI=1S/C21H33N5O4/c27-18(17-5-11-26(12-6-17)21(30)25-9-3-4-10-25)23-13-15-24(16-14-23)20(29)19(28)22-7-1-2-8-22/h17H,1-16H2
InChIKeyHDUZSLLHHLVTOS-UHFFFAOYSA-N
XLogP0.21
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 50.21
H-Bond Donors ≤ 50
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 1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione (CID 55802329) is 1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1)N1CCCC1.
What is the InChIKey of 1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is HDUZSLLHHLVTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4/c27-18(17-5-11-26(12-6-17)21(30)25-9-3-4-10-25)23-13-15-24(16-14-23)20(29)19(28)22-7-1-2-8-22/h17H,1-16H2.
What are the key properties of 1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 419.53 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 55802329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).